AG00G660

790230-04-5 | 4-Bromo-3-(hydroxymethyl)benzoic acid

AG00G660

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CAS Number	790230-04-5
Catalog Number	AG00G660(AGN-PC-0WAMZE)
Chemical Name	4-Bromo-3-(hydroxymethyl)benzoic acid
IUPAC Name	4-bromo-3-(hydroxymethyl)benzoic acid
InChI	InChI=1S/C8H7BrO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3,10H,4H2,(H,11,12)
InChI Key	ZKHGQEFOBYVUFQ-UHFFFAOYSA-N
MDL Number	MFCD16249537
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=C(O)C1=CC=C(Br)C(CO)=C1
Synonyms	4-bromo-3-(hydroxymethyl)benzoic acid, 790230-04-5, AK-93326, SCHEMBL976882, KS-00000RDD, DTXSID60704390, ZKHGQEFOBYVUFQ-UHFFFAOYSA-N, 2357AC, MFCD16249537, ZINC71260702, AKOS015924449, CS-W022098, FCH1396247, DS-17819, AB0000274, AJ-117883, AX8250459, DB-075536, ST2401881, 4CH-019463, FT-0738588, S-1167, C8H7BrO3, 4-Bromo-3-(hydroxymethyl)benzoicacid,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number