AG00E93C

61220-58-4 | 6-Chloroindole-3-acetonitrile

AG00E93C

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CAS Number	61220-58-4
Catalog Number	AG00E93C(AGN-PC-02W4J5)
Chemical Name	6-Chloroindole-3-acetonitrile
IUPAC Name	2-(6-chloro-1H-indol-3-yl)acetonitrile
InChI	InChI=1S/C10H7ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2
InChI Key	RWEBGNJFKXWENX-UHFFFAOYSA-N
MDL Number	MFCD03428598
Molecular Formula	C10H7ClN2
Molecular Weight	190.6290
SMILES	ClC1=CC2=C(C(=CN2)CC#N)C=C1
Synonyms	2-(6-chloro-1H-indol-3-yl)acetonitrile, 61220-58-4, 6-Chloroindole-3-acetonitrile, 1H-Indole-3-acetonitrile, 6-chloro-, (6-chloro-1H-indol-3-yl)acetonitrile, PubChem23894, AC1Q3KIG, 6-Chloro-3-indoleacetonitrile, SCHEMBL6198753, CTK5B2884, DTXSID30608896, RWEBGNJFKXWENX-UHFFFAOYSA-N, ZINC2586047, 1H-Indole-3-acetonitrile,6-chloro-, ANW-46212, KM0477, MFCD03428598, AKOS005258780, MCULE-5269271243, AJ-43688, AN-39338, AS-44123, TC-134957, 2-(6-chloranyl-1H-indol-3-yl)ethanenitrile, FT-0691094, ST24021815, EN300-60376, 220C584, A833108, I10-0584, C10H7ClN2, cc-600, C-4355,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.03g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.63g/mol
Monoisotopic Mass	190.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

Lot Number