AG00HUE5

135748-35-5 | Benzonitrile, 4-chloro-2,5-difluoro-

AG00HUE5

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CAS Number	135748-35-5
Catalog Number	AG00HUE5(AGN-PC-005SMK)
Chemical Name	Benzonitrile, 4-chloro-2,5-difluoro-
IUPAC Name	4-chloro-2,5-difluorobenzonitrile
InChI	InChI=1S/C7H2ClF2N/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H
InChI Key	OMVDTUXOHXQKML-UHFFFAOYSA-N
MDL Number	MFCD06659464
Molecular Formula	C7H2ClF2N
Molecular Weight	173.5473
SMILES	FC1=CC(C#N)=C(F)C=C1Cl
Synonyms	4-CHLORO-2,5-DIFLUOROBENZONITRILE, 135748-35-5, Benzonitrile, 4-chloro-2,5-difluoro-, 4-chloro-2,5-difluoro-benzonitrile, PubChem1568, Intermediates-ZCF02047, ACMC-20a6c7, KSC494O0H, SCHEMBL1880028, Jsp002169, CTK3J4703, KS-00000EZC, DTXSID10460818, OMVDTUXOHXQKML-UHFFFAOYSA-N, ACT09725, BCP06184, 2,5-difluoro-4-chloro-benzonitrile, 6381AA, AC-228, ANW-59141, CL8209, MFCD06659464, ZINC19615480, Benzonitrile,4-chloro-2,5-difluoro-, AKOS006294608, AM61762, AS02634, CC-1139, CM12998, LS10443, QC-3534, VZ28681, AJ-73987, AK-46841, AN-16024, BC220207, CJ-16199, DS-14146, SC-00905, AB0061098, DB-005343, RT-002150, CS-0063913, FT-0081746, FT-0602485, ST24043522, X-3391, 748C355, I01-3125, C7H2ClF2N, CID11275302, A2906,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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