AG009110

1187933-29-4 | 1-(4-Chloro-phenyl)-azetidine-3-carboxylic acid

AG009110

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CAS Number	1187933-29-4
Catalog Number	AG009110(AGN-PC-09RQX7)
Chemical Name	1-(4-Chloro-phenyl)-azetidine-3-carboxylic acid
IUPAC Name	1-(4-chlorophenyl)azetidine-3-carboxylic acid
InChI	InChI=1S/C10H10ClNO2/c11-8-1-3-9(4-2-8)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChI Key	JZXZRZQJWQECTJ-UHFFFAOYSA-N
MDL Number	MFCD30186720
Molecular Formula	C10H10ClNO2
Molecular Weight	211.6449
SMILES	O=C(C1CN(C2=CC=C(Cl)C=C2)C1)O
Synonyms	1-(4-Chlorophenyl)azetidine-3-carboxylic acid, 1187933-29-4, SCHEMBL16695293, DTXSID80695791, 3135AA, MFCD12913661, ZINC91301516, AKOS016013767, FCH1378413, AK-77846, DS-17247, AJ-129702, AX8224311, 1-(4-CHLORO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID, C10H10ClNO2, 1-(4-Chlorophenyl)azetidine-3-carboxylicacid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.645g/mol
Monoisotopic Mass	211.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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