AG003IN3

122376-76-5 | 2-(3,5-Difluorophenyl)acetonitrile

AG003IN3

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CAS Number	122376-76-5
Catalog Number	AG003IN3(AGN-PC-0JS8GY)
Chemical Name	2-(3,5-Difluorophenyl)acetonitrile
IUPAC Name	2-(3,5-difluorophenyl)acetonitrile
InChI	InChI=1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key	OBMYMTSBABEPIB-UHFFFAOYSA-N
MDL Number	MFCD00061278
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	FC1=CC(F)=CC(CC#N)=C1
Synonyms	3,5-Difluorophenylacetonitrile, 122376-76-5, 2-(3,5-difluorophenyl)acetonitrile, 3,5-Difluorobenzyl Cyanide, 3,5-Difluorobenzylcyanide, Benzeneacetonitrile, 3,5-difluoro-, (3,5-difluorophenyl)acetonitrile, OBMYMTSBABEPIB-UHFFFAOYSA-N, 2-(3,5-difluorophenyl)ethanenitrile, 3,5-Difluorophenylacetonitrile98%, PubChem1588, AC1LAQUB, AC1Q4LMT, AC1Q4LRB, ACMC-1BXC0, KSC493I3T, 3,5 difluorophenylacetonitrile, SCHEMBL1019992, 3,5-difluoro-phenylacetonitrile, CTK3J3439, KS-00000EHQ, 3,5 - Difluorophenylacetonitrile, DTXSID10333790, ATTERCOP-CHM AT118429, (3,5-difluorophenyl)-acetonitrile, ZINC164759, ACN-S004607, ACT12806, JRD-0094, (3,5-difluoro-phenyl)-acetonitrile, ANW-17978, MFCD00061278, SBB064299, WT1754, 3,5-Difluorophenylacetonitrile, 98%, AKOS007930907, AC-4191, AM82827, AS01968, DS-1563, MCULE-8203517818, PF10735, PS-8905, RTC-062345, TRA0119246, VZ25779, AJ-16277, AK-45304, AN-12242, BR-45304, CJ-02213, N660, SC-76240, SY017084, ZB008285, AB0015952, DB-023712, ST2417293, TC-062345, 122376-76-5 3,5-difluorobenzyl cyanide, D3443, FT-0614602, ST50824384, EN300-55008, A21810, S-1977, MFCD00061278 (97+%), I01-4585, J-004795, F0001-0361, Z1245635835, 2-(3,5-Difluorophenyl)acetonitrile;3,5-Difluorobenzyl cyanide, C8H5F2N, CID518565, ZINC00164759, Benzeneacetonitrile, 3,5-difluoro- (9CI), 3,5-Difluorophenylacetonitrile, 97% - 5G 5g,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.132g/mol
Monoisotopic Mass	153.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number