AG001RPW

16017-69-9 | Benzoic acid, 4-amino-2-chloro-, ethyl ester

AG001RPW

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CAS Number	16017-69-9
Catalog Number	AG001RPW(AGN-PC-00LVPA)
Chemical Name	Benzoic acid, 4-amino-2-chloro-, ethyl ester
IUPAC Name	ethyl 4-amino-2-chlorobenzoate
InChI	InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2,11H2,1H3
InChI Key	RAIGEAVXXPZKJB-UHFFFAOYSA-N
MDL Number	MFCD09034640
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	CCOC(=O)C1=C(Cl)C=C(N)C=C1
Synonyms	ethyl 4-amino-2-chlorobenzoate, 16017-69-9, Ethyl 4-amino-2-chlorobenzenecarboxylate, ethyl-2-chloro-4-amino-benzoate, 4-amino-2-chloro-benzoic acid ethyl ester, Benzoic acid, 4-amino-2-chloro-, ethyl ester, MFCD09034640, SCHEMBL753194, ethylaminochlorobenzenecarboxylate, CTK4D0357, KS-00002AZH, DTXSID70534862, RAIGEAVXXPZKJB-UHFFFAOYSA-N, 3-Chloro-4-(ethoxycarbonyl)aniline, CS-B1391, 8076AA, ANW-55534, BBL000628, SBB092523, SP4139, STK825995, ZINC19092703, AKOS000431295, ACN-054440, MCULE-3922064529, RP11690, SS-3019, 4-Amino-2-chlorobenzoic acid ethyl ester, AJ-71887, ST2406946, TR-006799, FT-0681726, ETHYL 4-AMINO-2-CHLOROBENZOATE 95+%, Y-4799, J-520965, I01-15792, C9H10ClNO2,

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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