AG000LJV

1240948-77-9 | 1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-

AG000LJV

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CAS Number	1240948-77-9
Catalog Number	AG000LJV(AGN-PC-0WAMH5)
Chemical Name	1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-
EC Number	809-912-0
IUPAC Name	5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
InChI	InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
InChI Key	ZDEFHFJZEDEKJO-UHFFFAOYSA-N
MDL Number	MFCD24619247
Molecular Formula	C11H7FN2
Molecular Weight	186.1851
SMILES	N#CC1=CNC(C2=CC=CC=C2F)=C1
Synonyms	5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile, 1240948-77-9, SCHEMBL193719, KS-00000TGH, ZDEFHFJZEDEKJO-UHFFFAOYSA-N, MFCD24619247, AKOS027254210, ZINC113286624, AK204529, DS-10368, CS-0060470, 1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-, EC 809-912-0,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.189g/mol
Monoisotopic Mass	186.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.6A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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