AG0093MA

104253-47-6 | 5-Amino-2-Chloro-4-Methoxy-Benzoic Acid Methyl Ester

AG0093MA

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CAS Number	104253-47-6
Catalog Number	AG0093MA(AGN-PC-00MT5C)
Chemical Name	5-Amino-2-Chloro-4-Methoxy-Benzoic Acid Methyl Ester
IUPAC Name	methyl 5-amino-2-chloro-4-methoxybenzoate
InChI	InChI=1S/C9H10ClNO3/c1-13-8-4-6(10)5(3-7(8)11)9(12)14-2/h3-4H,11H2,1-2H3
InChI Key	BJHAUZLITYUGGF-UHFFFAOYSA-N
MDL Number	MFCD24642265
Molecular Formula	C9H10ClNO3
Molecular Weight	215.6336
SMILES	O=C(OC)C1=CC(N)=C(OC)C=C1Cl
Synonyms	104253-47-6, methyl 5-amino-2-chloro-4-methoxybenzoate, 5-Amino-2-chloro-4-methoxy-benzoic acid methyl ester, Benzoic acid, 5-amino-2-chloro-4-methoxy-, methyl ester, SCHEMBL1787264, BJHAUZLITYUGGF-UHFFFAOYSA-N, ZINC75625709, Z-9379,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.633g/mol
Monoisotopic Mass	215.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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