AG00IG3N

90326-62-8 | Methyl 3-Bromo-4-(Hydroxymethyl)Benzoate

AG00IG3N

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CAS Number	90326-62-8
Catalog Number	AG00IG3N(AGN-PC-09RZUO)
Chemical Name	Methyl 3-Bromo-4-(Hydroxymethyl)Benzoate
IUPAC Name	methyl 3-bromo-4-(hydroxymethyl)benzoate
InChI	InChI=1S/C9H9BrO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4,11H,5H2,1H3
InChI Key	FHBYEUICKVHSAL-UHFFFAOYSA-N
MDL Number	MFCD15527253
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	O=C(OC)C1=CC=C(CO)C(Br)=C1
Synonyms	METHYL 3-BROMO-4-(HYDROXYMETHYL)BENZOATE, 90326-62-8, SCHEMBL18973337, DTXSID50697525, MFCD15527253, RB3304, ZINC95831103, AKOS024259248, DA-01531, SC-37046, AJ-135196, FT-0707049, ST24047806, 3-Bromo-4-(hydroxymethyl)benzoic acid methyl ester,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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