AG00EE9A

64401-55-4 | Ethyl-5-amino-2-chlorobenzoate

AG00EE9A

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CAS Number	64401-55-4
Catalog Number	AG00EE9A(AGN-PC-00LKJY)
Chemical Name	Ethyl-5-amino-2-chlorobenzoate
EC Number	613-585-8
IUPAC Name	ethyl 5-amino-2-chlorobenzoate
InChI	InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChI Key	OCMMZRKNONEJAO-UHFFFAOYSA-N
MDL Number	MFCD00115822
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	O=C(OCC)C1=CC(N)=CC=C1Cl
Synonyms	Ethyl 5-amino-2-chlorobenzoate, 64401-55-4, ethyl-5-amino-2-chlorobenzoate, Benzoic acid, 5-amino-2-chloro-, ethyl ester, AC1Q32YN, SCHEMBL194508, CTK2A5933, DTXSID10530101, OCMMZRKNONEJAO-UHFFFAOYSA-N, BBL000626, MFCD00115822, STK825993, ZINC19092739, AKOS000113550, FS-5120, MCULE-9208433169, AJ-71894, DB-073498, TL8004560, FT-0761830, EN300-51816, W-6491, (2E)-N-(2-bromophenyl)but-2-enamide,

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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