AG003RUC

4093-31-6 | Methyl 4-acetamido-5-chloro-2-methoxybenzoate

AG003RUC

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CAS Number	4093-31-6
Catalog Number	AG003RUC(AGN-PC-0JLQW5)
Chemical Name	Methyl 4-acetamido-5-chloro-2-methoxybenzoate
EC Number	223-840-1
IUPAC Name	methyl 4-acetamido-5-chloro-2-methoxybenzoate
InChI	InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
InChI Key	OUEXNQRVYGYGIK-UHFFFAOYSA-N
MDL Number	MFCD00048191
Molecular Formula	C11H12ClNO4
Molecular Weight	257.6703
SMILES	O=C(OC)C1=CC(Cl)=C(NC(C)=O)C=C1OC
UNII	3D7Z5O4UXA
Synonyms	Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 4093-31-6, Methyl 4-acetamido-5-chloro-o-anisate, UNII-3D7Z5O4UXA, Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester, MFCD00048191, 3D7Z5O4UXA, OUEXNQRVYGYGIK-UHFFFAOYSA-N, 2-methoxy-4-acetylamino-5-chloro methyl benzoate, methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate, 4-acetamido-5-chloro-2-methoxybenzoic acid methyl ester, AK-94058, W-106329, EINECS 223-840-1, ACMC-1AFSV, EC 223-840-1, AC1L2TO8, DSSTox_CID_31529, DSSTox_RID_97414, DSSTox_GSID_57740, Oprea1_093629, KSC584A1R, SCHEMBL130152, AC1Q430A, CHEMBL3561753, DTXSID6057740, CTK4I4018, KS-00000JDL, ZINC155726, Tox21_113842, ANW-44075, SBB057576, AKOS002952816, ACM4093316, MCULE-7680897443, VZ28123, NCGC00253723-01, AC-14848, AJ-13619, AS-12356, CC-30614, CJ-01453, SC-25621, SY034797, ZB006097, CAS-4093-31-6, AX8020723, DB-049684, TC-132820, FT-0617372, ST24031080, ST50307236, methyl 2-methoxy-4-acetamido-5-chlorobenzoate, methyl 5-chloro-4-acetamido-2-methoxybenzoate, Methyl 5-chloro-4-acetamino-2-methoxybenzoate, Methyl-4-acetamido-5-chloro-2-methoxybenzoate, MFCD00048191 (97%), methyl 4-acetamido-5-chloro-2-methoxy-benzoate, methyl 2-methoxy-4-acetylamino-5-chlorobenzoate, C-24499, SR-01000944779, I01-6457, SR-01000944779-1, Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 99%, methyl 4-(acetylamino)-5-chloro-2-(methyloxy)benzoate, 4-Acetylamino-5-chloro-2-methoxy-benzoic acid methyl ester, 2-Methoxy-4-(acetylamino)-5-chlorobenzoic acid methyl ester, 4-(N-acetylamino)-5-chloro-2-methoxybenzoic acid, methyl ester, Benzoic acid,4-(acetylamino)-5-chloro-2-methoxy-, methyl ester, Metoclopramide Related Compound B, United States Pharmacopeia (USP) Reference Standard, InChI=1/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14, C11H12ClNO4, Metoclopramide EP Impurity B, C11-H12-Cl-N-O4, CID77721, ZINC00155726, CS-T-57880, Methyl-4-acetylamino-5-chloro-2-methoxy-benzoate, Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 99% - 10G 10g,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.045g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.67g/mol
Monoisotopic Mass	257.045g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number