AG0036ST

6942-37-6 | Methyl 5-amino-2-bromobenzoate

AG0036ST

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CAS Number	6942-37-6
Catalog Number	AG0036ST(AGN-PC-0JOINI)
Chemical Name	Methyl 5-amino-2-bromobenzoate
IUPAC Name	methyl 5-amino-2-bromobenzoate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
InChI Key	OFDWPQOLEQDJIX-UHFFFAOYSA-N
MDL Number	MFCD00085568
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
NSC Number	57463
SMILES	NC=1C=CC(=C(C(=O)OC)C1)Br
Synonyms	methyl 5-amino-2-bromobenzoate, 6942-37-6, 5-AMINO-2-BROMO-BENZOIC ACID METHYL ESTER, Benzoic acid, 5-amino-2-bromo-, methyl ester, NSC57463, AC1L6G0B, AC1Q5Z4Y, SCHEMBL847862, AC1Q431B, CTK5C9806, methyl 2-bromo-5-amino-benzoate, methyl-3-amino-6-bromo-benzoate, DTXSID30288758, OFDWPQOLEQDJIX-UHFFFAOYSA-N, KS-00000F0S, ZINC1688072, MFCD00085568, NSC-57463, AKOS011218868, CS-W005932, DS-5285, MB00599, 2-Bromo-5-aminobenzoic acid methyl ester, 5-amino-2-bromobenzoic acid methyl ester, AC-28486, AJ-29911, AK126705, SC-26317, SY034469, DB-074169, Methyl 5-amino-2-bromobenzoate, AldrichCPR, 4CH-000273, FT-0731715, ST24047963, X5359, Benzoic acid,5-amino-2-bromo-, methyl ester, MFCD00085568 (95%), W-3986, C8H8BrNO2, AR-1J5532, CID245495, ACN-050174, 828-94-4,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

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