AG0013F8

1375064-50-8 | Benzoic acid, 3-chloro-4-(1-pyrrolidinyl)-, methyl ester

AG0013F8

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CAS Number	1375064-50-8
Catalog Number	AG0013F8(AGN-PC-0WADV9)
Chemical Name	Benzoic acid, 3-chloro-4-(1-pyrrolidinyl)-, methyl ester
IUPAC Name	methyl 3-chloro-4-pyrrolidin-1-ylbenzoate
InChI	InChI=1S/C12H14ClNO2/c1-16-12(15)9-4-5-11(10(13)8-9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key	UZQJIFFWGPGZNG-UHFFFAOYSA-N
MDL Number	MFCD22205883
Molecular Formula	C12H14ClNO2
Molecular Weight	239.6981
SMILES	COC(=O)C1=CC=C(N2CCCC2)C(Cl)=C1
Synonyms	Methyl 3-Chloro-4-(1-pyrrolidinyl)benzoate, 1375064-50-8, KS-00000BOU, 7020AJ, MFCD22205883, ZINC90513328, AKOS024257366, TRA0014767, AS-32281, SY019833, methyl 3-chloro-4-pyrrolidin-1-ylbenzoate, Methyl3-Chloro-4-(1-pyrrolidinyl)benzoate, TC-308485, Z-4556, MFCD22205883 (97+%), Benzoic acid, 3-chloro-4-(1-pyrrolidinyl)-, methyl ester, C12H14ClNO2, 2530-10-1, 5394-18-3,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.071g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.699g/mol
Monoisotopic Mass	239.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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