AG00IM9F

55877-31-1 | 3-Benzofurancarbonitrile

AG00IM9F

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CAS Number	55877-31-1
Catalog Number	AG00IM9F(AGN-PC-0NKUC8)
Chemical Name	3-Benzofurancarbonitrile
IUPAC Name	1-benzofuran-3-carbonitrile
InChI	InChI=1S/C9H5NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H
InChI Key	VLLADTXGBAUFMW-UHFFFAOYSA-N
MDL Number	MFCD00810098
Molecular Formula	C9H5NO
Molecular Weight	143.1421
SMILES	N#CC1C2=C(C=CC=C2)OC=1
Synonyms	1-benzofuran-3-carbonitrile, 55877-31-1, 3-cyanobenzofuran, 3-Benzofurancarbonitrile, benzofuran-3-carbonitrile, SCHEMBL1998501, CTK1F5727, KS-00000EJZ, DTXSID40577827, VLLADTXGBAUFMW-UHFFFAOYSA-N, MFCD00810098, ZINC22014109, AKOS013356737, MCULE-3704898157, NE27728, CS-12071, SY036790, MFCD00810098 (95%), F10034, Z1626921285,

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

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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