AG003IMG

467442-15-5 | 3,5-Difluoro-4-formylbenzonitrile

AG003IMG

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CAS Number	467442-15-5
Catalog Number	AG003IMG(AGN-PC-00UQY6)
Chemical Name	3,5-Difluoro-4-formylbenzonitrile
IUPAC Name	3,5-difluoro-4-formylbenzonitrile
InChI	InChI=1S/C8H3F2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H
InChI Key	GOBXWYWTZCKDBF-UHFFFAOYSA-N
MDL Number	MFCD08457661
Molecular Formula	C8H3F2NO
Molecular Weight	167.1123
SMILES	N#CC1=CC(F)=C(C=O)C(F)=C1
Synonyms	3,5-Difluoro-4-formylbenzonitrile, 467442-15-5, 4-Cyano-2,6-difluorobenzaldehyde, 3,5-Difluoro-4-formyl-benzonitrile, Benzonitrile, 3,5-difluoro-4-formyl-, PubChem4188, ACMC-209xbe, SCHEMBL603077, CTK4I9554, DTXSID30584843, GOBXWYWTZCKDBF-UHFFFAOYSA-N, ACT11842, BCP10049, ANW-47448, MFCD08457661, ZINC38339167, Benzonitrile,3,5-difluoro-4-formyl-, AKOS015890063, AC-3831, AM62006, AS01448, CC-1154, CM11911, CS-W000015, TRA0058711, 3,5-Difluoro-4-formylbenzonitrile, 97%, AJ-95124, AK-35264, AN-12601, BC686455, BR-35264, DS-12572, SC-31814, AB0025018, DB-010050, RT-019311, ST2404631, FT-0657400, W6401, S-4127, I01-4856, C8H3F2NO,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.018g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.115g/mol
Monoisotopic Mass	167.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number