AG00C9UD

41717-32-2 | 2-Cyanobenzofuran

AG00C9UD

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CAS Number	41717-32-2
Catalog Number	AG00C9UD(AGN-PC-0JKQKB)
Chemical Name	2-Cyanobenzofuran
IUPAC Name	1-benzofuran-2-carbonitrile
InChI	InChI=1S/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChI Key	ZQGAXHXHVKVERC-UHFFFAOYSA-N
MDL Number	MFCD01659779
Molecular Formula	C9H5NO
Molecular Weight	143.1421
SMILES	C1=C(OC2=C1C=CC=C2)C#N
Synonyms	1-benzofuran-2-carbonitrile, 41717-32-2, benzofuran-2-carbonitrile, 2-Cyanobenzofuran, Coumarilonitrile, 2-BENZOFURANCARBONITRILE, BRN 0116663, CHEMBL3358217, cyano-benzofuran, benzofurancarbonitrile, AC1Q4R4D, benzo[b]furan-2-carbonitrile, KSC235S1H, SCHEMBL846924, AC1L20Q7, CTK1D5913, DTXSID20194516, ZQGAXHXHVKVERC-UHFFFAOYSA-N, ZINC122171, ALBB-031765, EBD54970, KS-00000N0H, ANW-52259, BDBM50037879, MFCD01659779, AKOS002679701, MCULE-3653069529, RP01346, RTR-016457, AJ-11780, AK-23549, BR-23549, DS-10470, EN002468, LS-34904, ST012281, ZB004198, AB0003279, DB-081423, ST2408638, TR-016457, 4CH-015148, FT-0649576, W6191, EN300-53426, S-3646, J-519739, I14-10824, Z803145620, InChI=1/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5, C9H5NO, C9-H5-N-O, CID38950, 5-18-06-00423 (Beilstein Handbook Reference),

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	143.145g/mol
Monoisotopic Mass	143.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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