AG00DK50

474330-54-6 | 5-Amino-2-bromo-4-methylbenzoic acid methyl ester

AG00DK50

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CAS Number	474330-54-6
Catalog Number	AG00DK50(AGN-PC-0BKESU)
Chemical Name	5-Amino-2-bromo-4-methylbenzoic acid methyl ester
IUPAC Name	methyl 5-amino-2-bromo-4-methylbenzoate
InChI	InChI=1S/C9H10BrNO2/c1-5-3-7(10)6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key	YZLNWLHJRDAYTM-UHFFFAOYSA-N
MDL Number	MFCD14706185
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	O=C(OC)C1=CC(N)=C(C)C=C1Br
Synonyms	methyl 5-amino-2-bromo-4-methylbenzoate, 474330-54-6, 5-amino-2-bromo-4-methyl-benzoic acid methyl ester, Benzoic acid, 5-amino-2-bromo-4-methyl-, methyl ester, 5-amino-2-bromo-4-methylbenzoic acid methyl ester, SCHEMBL1770853, CTK4I9964, KS-00000BWJ, DTXSID20718852, YZLNWLHJRDAYTM-UHFFFAOYSA-N, 7107AJ, ZINC71864349, AKOS025287247, DS-9493, QC-9695, Methyl5-Amino-2-bromo-4-methylbenzoate, AC-29553, AK167386, DA-05622, SY035924, AB0097890, TX-013343, CS-0030486, FT-0723759, MFCD14706185 (95%), L-1144, Z-8193, Benzoicacid,5-amino-2-bromo-4-methyl-,methylester, Z2065464387, C9H10BrNO2,

Complexity	198
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	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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