AG003HSY

610-66-2 | 2-(2-Nitrophenyl)acetonitrile

AG003HSY

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CAS Number	610-66-2
Catalog Number	AG003HSY(AGN-PC-046LRD)
Chemical Name	2-(2-Nitrophenyl)acetonitrile
EC Number	210-231-0
IUPAC Name	2-(2-nitrophenyl)acetonitrile
InChI	InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChI Key	YPRFCQAWSNWRLM-UHFFFAOYSA-N
MDL Number	MFCD00007183
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
NSC Number	99338
SMILES	[N+](=O)([O-])C1=C(C=CC=C1)CC#N
UNII	7859F455K6
Synonyms	2-Nitrophenylacetonitrile, 610-66-2, 2-(2-nitrophenyl)acetonitrile, (2-Nitrophenyl)acetonitrile, 2-Nitrobenzyl Cyanide, Benzeneacetonitrile, 2-nitro-, (o-Nitrophenyl)acetonitrile, o-Nitrobenzacetonitrile, 2-Nitrobenzeneacetonitrile, 2-Nitrobenzyl nitrile, Acetonitrile, (o-nitrophenyl)-, O-NITROPHENYLACETONITRILE, o-Nitrophenyl acetonitrile, (2-Nitro-phenyl)-acetonitrile, CCRIS 4681, UNII-7859F455K6, EINECS 210-231-0, MFCD00007183, NSC 99338, BRN 1869400, 2-Nitrophenylacetonitrile, 98%, YPRFCQAWSNWRLM-UHFFFAOYSA-N, 7859F455K6, 2-(2-nitrophenyl)ethanenitrile, NSC99338, 2-Nitro-benzyl-cyanid, ACMC-209mom, DSSTox_CID_5768, AC1L1YD6, DSSTox_RID_77917, NCIOpen2_002167, DSSTox_GSID_25768, (2-nitrophenyl)-acetonitrile, 3-09-00-02283 (Beilstein Handbook Reference), KSC492O4B, ARONIS24326, SCHEMBL181041, AC1Q1Y28, 2-(2-nitrophenyl)-acetonitrile, CHEMBL1300441, DTXSID7025768, CTK3J2740, KS-00000EEV, ACN-S003952, ACT07838, EBD39497, KS-000046WH, ZINC1654178, Tox21_200975, ANW-33668, NSC-99338, SBB064096, AKOS000122139, CS-W002025, GS-3235, LS-1458, MCULE-6707620997, RP22494, RTR-021037, TRA0060402, NCGC00090864-01, NCGC00090864-02, NCGC00258528-01, AJ-28846, AK-73091, AN-46445, BR-73091, CAS-610-66-2, CJ-05982, CJ-26765, SC-16579, SY006137, DB-005254, ST2416052, TR-021037, AM20050042, BB 0244243, FT-0600959, N0781, ST45053740, EN300-01351, MFCD00007183 (98%), 610N662, W-105204, Z56886385, InChI=1/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H, o-nitrobenzyl cyanide, C8H6N2O2, C8-H6-N2-O2, CID11888, M-5540, 2-Nitrophenylacetonitrile, 97.5% - 10G 10g,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^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+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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