AG0056K2

82765-44-4 | 4-Amino-3-chloro-benzoic acid ethyl ester

AG0056K2

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CAS Number	82765-44-4
Catalog Number	AG0056K2(AGN-PC-0K6AIX)
Chemical Name	4-Amino-3-chloro-benzoic acid ethyl ester
IUPAC Name	ethyl 4-amino-3-chlorobenzoate
InChI	InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
InChI Key	MFDTVONVIRHHBR-UHFFFAOYSA-N
MDL Number	MFCD06411007
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(OCC)C1=CC=C(N)C(Cl)=C1
Synonyms	ethyl 4-amino-3-chlorobenzoate, 82765-44-4, 4-amino-3-chloro-benzoic acid ethyl ester, 4-amino-3-chlorobenzoic acid ethyl ester, 1-amino-2-chloro-4-carboethoxybenzene, AC1LTV5F, SCHEMBL868005, Ethyl 3-chloro-4-aminobenzoate, CTK5F0054, KS-00000KRI, DTXSID70363937, MFDTVONVIRHHBR-UHFFFAOYSA-N, ZINC1437421, BBL000627, MFCD06411007, SP4140, STK825994, AKOS000431265, MCULE-9827542352, AJ-26024, AK-44773, BC652709, CJ-23480, AB0073824, CS-0042861, Benzoicacid, 4-amino-3-chloro-, ethyl ester, Y-2247, J-650208, ethyl-4-amino-3-chlorobenzoate, Ethyl 4-amino-3-chloro-benzoate, CID1515285, 4-AMINO-3-CHLORO-BENZOICACIDETHYLESTER, 3-pyridinyl(1-pyrrolidinyl)acetic acid dihydrochloride hydrate,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.634g/mol
Monoisotopic Mass	199.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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