AG00AC3U

170434-11-4 | 5-Bromo-2-(hydroxymethyl)phenol

AG00AC3U

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CAS Number	170434-11-4
Catalog Number	AG00AC3U(AGN-PC-01LR3G)
Chemical Name	5-Bromo-2-(hydroxymethyl)phenol
IUPAC Name	5-bromo-2-(hydroxymethyl)phenol
InChI	InChI=1S/C7H7BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-3,9-10H,4H2
InChI Key	CHVJSQNPFPRTPB-UHFFFAOYSA-N
MDL Number	MFCD08445665
Molecular Formula	C7H7BrO2
Molecular Weight	203.0333
SMILES	OCC1=C(O)C=C(Br)C=C1
Synonyms	5-Bromo-2-(hydroxymethyl)phenol, 170434-11-4, 4-Bromo-2-hydroxybenzyl alcohol, Benzenemethanol, 4-bromo-2-hydroxy-, 4-BROMO-2-HYDROXY-BENZENEMETHANOL, PubChem15237, Intermediates-ZCF02270, 2-hydroxy-4-bromobenzyl alcohol, SCHEMBL11918441, 2-Hydroxy-4-bromobenzenemethanol, CTK0H3365, DTXSID00590431, CHVJSQNPFPRTPB-UHFFFAOYSA-N, 5-bromo-2-(hydroxymethyl-)phenol, (4-Bromo-2-hydroxyphenyl)methanol, 5-bromanyl-2-(hydroxymethyl)phenol, ZX-AT016461, 8742AA, ANW-56164, MFCD08445665, ZINC16124447, AKOS015856450, AC-8533, AG-0729, AN-7916, AS05949, CM13296, MCULE-4305937360, RP25990, AJ-68344, AK-33653, BC003991, AX8102583, DB-006964, TC-030090, FT-0080320, FT-0602749, A811199, C-40016, J-516840, I14-34672, 4-bromo-2-hydroxybenzyl alcohol, (4-bromo-2-hydroxyphenyl)methanol, C7H7BrO2, D1406,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.963g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.035g/mol
Monoisotopic Mass	201.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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