AG00C0ZH

31786-46-6 | Methyl 2-bromo-6-methoxybenzoate

AG00C0ZH

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CAS Number	31786-46-6
Catalog Number	AG00C0ZH(AGN-PC-00OFMH)
Chemical Name	Methyl 2-bromo-6-methoxybenzoate
IUPAC Name	methyl 2-bromo-6-methoxybenzoate
InChI	InChI=1S/C9H9BrO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChI Key	LPZDOTAGNAUWRS-UHFFFAOYSA-N
MDL Number	MFCD14697992
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	O=C(OC)C1=C(OC)C=CC=C1Br
Synonyms	METHYL 2-BROMO-6-METHOXYBENZOATE, 31786-46-6, Benzoic acid, 2-bromo-6-methoxy-, methyl ester, ACMC-209hp0, SCHEMBL16008472, CTK1B2654, DTXSID90552947, LPZDOTAGNAUWRS-UHFFFAOYSA-N, ANW-27202, ZINC47202235, AKOS015834882, AK108164, CJ-20549, AJ-110604, TR-036464, 4CH-004498, FT-0703422, V5120, I01-10710, C9H9BrO3, Methyl2-bromo-6-methoxybenzoate, 2-bromo-6-methoxy-benzoic Acid,

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	0
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

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