AG003415

185147-08-4 | 4-Fluoro-3-methylbenzonitrile

AG003415

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CAS Number	185147-08-4
Catalog Number	AG003415(AGN-PC-0KKZDT)
Chemical Name	4-Fluoro-3-methylbenzonitrile
IUPAC Name	4-fluoro-3-methylbenzonitrile
InChI	InChI=1S/C8H6FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChI Key	ZMEAHKIIWJDJFT-UHFFFAOYSA-N
MDL Number	MFCD03788510
Molecular Formula	C8H6FN
Molecular Weight	135.1383
SMILES	N#Cc1ccc(F)c(c1)C
Synonyms	4-Fluoro-3-methylbenzonitrile, 185147-08-4, 3-methyl-4-fluorobenzonitrile, 3-methyl-4-fluoro benzonitrile, 4-Fluoro-m-tolunitrile, BENZONITRILE, 4-FLUORO-3-METHYL-, 4-fluoro-3-methyl-benzonitrile, 2-FLUORO-5-CYANOTOLUENE, 5-CYANO-2-FLUOROTOLUENE, 4-fluoro-3-methylbenzenecarbonitrile, MFCD03788510, PubChem1553, AC1MCUYB, ACMC-209emo, AC1Q2FHB, 4-Fluoro-3-methylbenzonitrle, KSC497I2R, SCHEMBL532567, 3-methyl-4-fluoro-benzonitrile, Jsp003794, CTK3J7428, DTXSID60381307, OTAVA-BB 1506464, ZMEAHKIIWJDJFT-UHFFFAOYSA-N, ACT00977, JRD-1273, KS-00000EE1, ZINC2510727, ANW-23230, CF-131, RW3544, SBB063636, STL451488, WT1567, AKOS005063605, AC-1172, AS01685, AS04686, CM13095, CS-W003101, GS-3395, LF10943, MCULE-8081408352, QC-2330, RP20199, RTC-060514, TRA0044516, VZ29034, AJ-36480, AK-25529, AN-15198, BC219245, BR-25529, CJ-08579, N772, SC-45898, SY006995, 4-Fluoro-3-methylbenzonitrile, AldrichCPR, AB0005544, AB1000841, DB-005354, TC-060514, TL8001495, AM20030217, F0986, FT-0081754, FT-0601352, ST24032795, EN300-14797, 185147-08-4 4-fluoro-3-methylbenzonitrile, B-7547, MFCD03788510 (97+%), 147F084, I01-2369, I01-6751, I01-8439, J-515376, Z271138114, null, C8H6FN, ZINC02510727, ACN-056041, CID2779180, Benzonitrile, 4-fluoro-3-methyl- (9CI), A1557, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	135.141g/mol
Monoisotopic Mass	135.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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