AG00361W

104670-74-8 | 2-Amino-3-bromobenzoic acid methyl ester

AG00361W

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CAS Number	104670-74-8
Catalog Number	AG00361W(AGN-PC-00CPWB)
Chemical Name	2-Amino-3-bromobenzoic acid methyl ester
IUPAC Name	methyl 2-amino-3-bromobenzoate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3
InChI Key	FGSIUBWPZRBMOC-UHFFFAOYSA-N
MDL Number	MFCD11042862
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	COC(C1=C(C(=CC=C1)Br)N)=O
Synonyms	METHYL 2-AMINO-3-BROMOBENZOATE, 104670-74-8, Benzoic acid, 2-amino-3-bromo-, methyl ester, 2-Amino-3-bromobenzoic acid methyl ester, ACMC-20aikf, methyl 3-bromoanthranilate, SCHEMBL1189085, CTK0G6151, KS-00000OVA, DTXSID60469497, FGSIUBWPZRBMOC-UHFFFAOYSA-N, ANW-74989, CL9133, MFCD11042862, ZINC35940321, AKOS010056767, CM12346, CS-W018624, GS-4153, AJ-92273, AK-50612, BR-50612, CJ-18852, SC-37226, 2-Amino-3-bromo-benzoic acid methyl ester, AB0034552, DB-059173, TC-163734, 4CH-010614, FT-0702797, ST24025195, X8724, S-5520, S01-0816, C8H8BrNO2, Methyl2-amino-3-bromobenzoate, Methyl 2-amino-3-bromo-benzoate, ACN-046831, CID11615550,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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