AG001EBV

146780-26-9 | Benzonitrile, 5-chloro-2,4-difluoro-

AG001EBV

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CAS Number	146780-26-9
Catalog Number	AG001EBV(AGN-PC-03ONHE)
Chemical Name	Benzonitrile, 5-chloro-2,4-difluoro-
IUPAC Name	5-chloro-2,4-difluorobenzonitrile
InChI	InChI=1S/C7H2ClF2N/c8-5-1-4(3-11)6(9)2-7(5)10/h1-2H
InChI Key	JPKFRPZCKNFWIJ-UHFFFAOYSA-N
MDL Number	MFCD06659465
Molecular Formula	C7H2ClF2N
Molecular Weight	173.5473
SMILES	ClC=1C(=CC(=C(C#N)C1)F)F
Synonyms	5-CHLORO-2,4-DIFLUOROBENZONITRILE, 146780-26-9, 2,4-difluoro-5-chlorobenzonitrile, Benzonitrile, 5-chloro-2,4-difluoro-, 5-Chloro-2,4-difluoro-benzonitrile, AK-81419, PubChem1569, ACMC-1C1AT, Intermediates-ZCF02126, KSC494O2D, SCHEMBL286611, CTK3J4721, KS-00000EZE, DTXSID10625400, JPKFRPZCKNFWIJ-UHFFFAOYSA-N, ACT00378, ZX-AP009756, ANW-46728, CL8225, FCH853168, MFCD06659465, ZINC22001384, Benzonitrile,5-chloro-2,4-difluoro-, AKOS006294609, AC-4039, AM61779, AS01637, CC-1141, CM12999, CS-W022345, PC49273, AJ-80136, AN-12376, AS-19061, BC220208, CC-21476, CJ-17191, SC-46239, AB0031269, AX8010124, DB-007002, RT-002159, 4CH-006504, FT-0080893, FT-0650981, ST24032977, X4287, A20934, X-3392, 780C269, C-05760, I01-4616, C7H2ClF2N, 4-BROMO (1H)INDAZOLE, 135748-34-4,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.547g/mol
Monoisotopic Mass	172.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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