AG00DKEP

4404-11-9 | 4-Chloro-1H-indole-2-carbonitrile

AG00DKEP

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CAS Number	4404-11-9
Catalog Number	AG00DKEP(AGN-PC-000CE4)
Chemical Name	4-Chloro-1H-indole-2-carbonitrile
IUPAC Name	4-chloro-1H-indole-2-carbonitrile
InChI	InChI=1S/C9H5ClN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,12H
InChI Key	FDAFJTFFVWHCOX-UHFFFAOYSA-N
MDL Number	MFCD23135759
Molecular Formula	C9H5ClN2
Molecular Weight	176.6024
SMILES	ClC1=CC=CC2=C1C=C(N2)C#N
Synonyms	4-Chloro-1H-indole-2-carbonitrile, 4404-11-9, AK100663, SCHEMBL18292208, CTK8C3391, KS-00000QUY, DTXSID50555570, 6081AB, ANW-70036, MFCD23135759, ZINC75085754, AKOS016001568, DS-3585, FCH1870040, AJ-121586, AX8241591, TC-158781, ST24023452, C9H5ClN2, BENZO[C]ISOTHIAZOL-4-AMINE, 1H-Indole-2-carbonitrile, 4-chloro-,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.014g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.603g/mol
Monoisotopic Mass	176.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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