AG00IJUX

96783-85-6 | Benzonitrile, 2-fluoro-6-(methylamino)-

AG00IJUX

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CAS Number	96783-85-6
Catalog Number	AG00IJUX(AGN-PC-00MP0R)
Chemical Name	Benzonitrile, 2-fluoro-6-(methylamino)-
IUPAC Name	2-fluoro-6-(methylamino)benzonitrile
InChI	InChI=1S/C8H7FN2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4,11H,1H3
InChI Key	HORADRWTTKWYNT-UHFFFAOYSA-N
MDL Number	MFCD12193344
Molecular Formula	C8H7FN2
Molecular Weight	150.1530
SMILES	N#CC1=C(NC)C=CC=C1F
Synonyms	2-Fluoro-6-(methylamino)benzonitrile, 96783-85-6, 2-Fluoro-6-(methylamino)benzenecarbonitrile, 2-fluoro-6-methylamino-benzonitrile, Benzonitrile,2-fluoro-6-(methylamino)-, SCHEMBL6017719, CTK6I4903, KS-00001EZP, DTXSID50541635, fluoromethylaminobenzenecarbonitrile, HORADRWTTKWYNT-UHFFFAOYSA-N, 2-Cyano-3-fluoro-N-methylaniline, 2-Fluoro-6-methylaminobenzonitrile, CS-M2832, 4535AF, MFCD12193344, SBB086699, ZINC35134930, AKOS005073669, MCULE-5625016503, ND-0716, RP09990, AJ-90724, AK-67171, SY034560, 6-fluoro-2-(methylamino)benzenecarbonitrile, AB0181074, TR-070768, MFCD12193344 (95%), Z-8053, C8H7FN2,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.156g/mol
Monoisotopic Mass	150.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number