3-Bromo-5-(hydroxymethyl)benzene-1,2-diol

PubChem CID: 13887341

Connections displayed (default: 10).

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Compound Synonyms	3-Bromo-5-(hydroxymethyl)benzene-1,2-diol, 52897-61-7, 3-BROMO-4,5-DIHYDROXYBENZYL ALCOHOL, DTXSID40551884, CHEMBL451595, DTXCID70502667
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	11.0
Isotope Atom Count	0.0
Molecular Complexity	131.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3-bromo-5-(hydroxymethyl)benzene-1,2-diol
Prediction Hob	1.0
Xlogp	1.0
Molecular Formula	C7H7BrO3
Prediction Swissadme	0.0
Inchi Key	VKMNUQABTPJNTP-UHFFFAOYSA-N
Fcsp3	0.1428571428571428
Logs	-1.162
Rotatable Bond Count	1.0
Logd	0.923
Compound Name	3-Bromo-5-(hydroxymethyl)benzene-1,2-diol
Prediction Hob Swissadme	0.0
Exact Mass	217.958
Formal Charge	0.0
Monoisotopic Mass	217.958
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	219.03
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-2.1782471636363634
Inchi	InChI=1S/C7H7BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2,9-11H,3H2
Smiles	C1=C(C=C(C(=C1O)O)Br)CO
Nring	1.0
Defined Bond Stereocenter Count	0.0

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3. Outgoing r'ship FOUND_IN to/from Avrainvillea Longicaulis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Avrainvillea Nigricans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Avrainvillea Rawsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Begonia Laciniata (Plant) Rel Props:Reference:
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8. Outgoing r'ship FOUND_IN to/from Helichrysum Angustifolium (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Helichrysum Anomalum (Plant) Rel Props:Reference:
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13. Outgoing r'ship FOUND_IN to/from Helichrysum Buddleioides (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Helichrysum Caespititium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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16. Outgoing r'ship FOUND_IN to/from Helichrysum Cephaloideum (Plant) Rel Props:Reference:
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45. Outgoing r'ship FOUND_IN to/from Rudbeckia Laciniata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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126. Outgoing r'ship FOUND_IN to/from Ulmus Laciniata (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Uncaria Lanosa (Plant) Rel Props:Reference:

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3-Bromo-5-(hydroxymethyl)benzene-1,2-diol

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Phytochemical Properties

Associated Connections 127

Plant Connections 127