AG000PJ0

1197193-14-8 | Benzoic acid, 2-fluoro-4-(1-pyrrolidinyl)-

AG000PJ0

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CAS Number	1197193-14-8
Catalog Number	AG000PJ0(AGN-PC-03IKOV)
Chemical Name	Benzoic acid, 2-fluoro-4-(1-pyrrolidinyl)-
IUPAC Name	2-fluoro-4-pyrrolidin-1-ylbenzoic acid
InChI	InChI=1S/C11H12FNO2/c12-10-7-8(13-5-1-2-6-13)3-4-9(10)11(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key	PMGPRXDYEZSZHN-UHFFFAOYSA-N
MDL Number	MFCD13191611
Molecular Formula	C11H12FNO2
Molecular Weight	209.2169
SMILES	O=C(O)C1=CC=C(N2CCCC2)C=C1F
Synonyms	2-Fluoro-4-pyrrolidinobenzoic Acid, 1197193-14-8, 2-Fluoro-4-(pyrrolidin-1-yl)benzoic acid, 2-FLUORO-4-(1-PYRROLIDINYL)BENZOIC ACID, 2-fluoro-4-pyrrolidin-1-ylbenzoic acid, 2-FLUORO-4-PYRROLIDINOBENZOICACID, SCHEMBL17142768, CTK8E1751, KS-00000CJD, 5557AJ, MFCD13191611, ZINC42684467, AKOS017560143, TRA0049082, AK-82669, DS-16902, SY006916, AJ-104601, DB-061618, TC-307106, FT-0710523, Benzoic acid, 2-fluoro-4-(1-pyrrolidinyl)-, MFCD13191611 (97+%), C11H12FNO2, 893740-46-0,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.085g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.22g/mol
Monoisotopic Mass	209.085g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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