AG003NF1

96631-87-7 | 1H-Indole-7-carbonitrile

AG003NF1

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CAS Number	96631-87-7
Catalog Number	AG003NF1(AGN-PC-0WAC8A)
Chemical Name	1H-Indole-7-carbonitrile
IUPAC Name	1H-indole-7-carbonitrile
InChI	InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H
InChI Key	NTUHBYLZRBVHRS-UHFFFAOYSA-N
MDL Number	MFCD00800653
Molecular Formula	C9H6N2
Molecular Weight	142.1573
SMILES	N#CC1=CC=CC2=C1NC=C2
Synonyms	1H-indole-7-carbonitrile, 7-Cyanoindole, 96631-87-7, 7-Cyano-1H-indole, AK-36992, C-8860, MFCD00800653, 7 -Cyanoindole, indole-7-nitrile, PubChem20912, 7-cyanoindole, AldrichCPR, AMBZ0216, SCHEMBL1420318, CTK3I6583, KS-00000JSE, DTXSID90447546, NTUHBYLZRBVHRS-UHFFFAOYSA-N, ACN-S002758, ACT04777, BCP27589, ZX-AT015480, ANW-49915, BBL102638, FCH842292, STL556441, ZINC21992053, AKOS005255107, CS-W002693, LS20017, OR40232, QC-9733, RP01317, TRA0038883, VI30451, AC-22689, AJ-79747, AN-34734, AS-11396, BC215317, BR-36992, SC-47458, SY012219, AB0009810, AX8023278, DB-007202, ST2408920, TC-064461, 4CH-011886, AM20050414, FT-0080932, FT-0647360, TL80090949, A-1756, 631C877, I10-0303, cc-382, C9H6N2, RW1642, 1-(6-Ethoxypyridin-2-Yl)Piperazine, CB10436, CID10898816, 1H-indole-7-carbonitrile, 95% - 1G 1g, A11216, 126811-31-2,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.161g/mol
Monoisotopic Mass	142.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	39.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number