AG00C62O

33922-96-2 | Methyl 5-bromo-2-(methylamino)benzoate

AG00C62O

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CAS Number	33922-96-2
Catalog Number	AG00C62O(AGN-PC-00KVKX)
Chemical Name	Methyl 5-bromo-2-(methylamino)benzoate
IUPAC Name	methyl 5-bromo-2-(methylamino)benzoate
InChI	InChI=1S/C9H10BrNO2/c1-11-8-4-3-6(10)5-7(8)9(12)13-2/h3-5,11H,1-2H3
InChI Key	TUQRZARLAYWDBD-UHFFFAOYSA-N
MDL Number	MFCD07439820
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	CNC1=C(C=C(Br)C=C1)C(=O)OC
Synonyms	methyl 5-bromo-2-(methylamino)benzoate, 33922-96-2, C9H10BrNO2, CTK8C4684, KS-00000IJL, DTXSID40518078, CHEMBRDG-BB 9038439, ZINC8703129, ANW-72770, CL9033, MFCD07439820, STK914003, AKOS002336813, FS-3714, MCULE-6015029503, RP28635, AJ-58629, AK-26829, CJ-13515, SC-94926, methyl 5-bromanyl-2-(methylamino)benzoate, DB-068909, TC-066988, 4CH-009356, FT-0653554, ST24031129, ST50770068, Z4618, M-9224, 5-bromo-2-(methylamino)benzoic acid methyl ester, A822000, I14-5476, J-522440,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

Lot Number