AG00F0P5

57097-45-7 | 4-Chloro-1H-pyrrole-2-carbonitrile

AG00F0P5

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CAS Number	57097-45-7
Catalog Number	AG00F0P5(AGN-PC-0NIATY)
Chemical Name	4-Chloro-1H-pyrrole-2-carbonitrile
IUPAC Name	4-chloro-1H-pyrrole-2-carbonitrile
InChI	InChI=1S/C5H3ClN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChI Key	DUZOBCCYLYWQGV-UHFFFAOYSA-N
MDL Number	MFCD12923750
Molecular Formula	C5H3ClN2
Molecular Weight	126.5437
SMILES	N#CC1=CC(Cl)=CN1
Synonyms	4-Chloro-1H-pyrrole-2-carbonitrile, 57097-45-7, 1H-Pyrrole-2-carbonitrile, 4-chloro-, AK120657, SCHEMBL276580, CTK1F2893, DTXSID60483259, DUZOBCCYLYWQGV-UHFFFAOYSA-N, KS-00000R3X, FCH951565, MFCD12923750, ZINC39194116, AKOS006349765, DS-6243, AX8246073, FT-0732297,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.998g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.543g/mol
Monoisotopic Mass	125.998g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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