AG008NZL

77123-60-5 | Benzenamine, 3-​ethynyl-​4-​fluoro-

AG008NZL

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CAS Number	77123-60-5
Catalog Number	AG008NZL(AGN-PC-0NJWEZ)
Chemical Name	Benzenamine, 3-​ethynyl-​4-​fluoro-
IUPAC Name	3-ethynyl-4-fluoroaniline
InChI	InChI=1S/C8H6FN/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5H,10H2
InChI Key	HWMVCSBQJWRQNF-UHFFFAOYSA-N
MDL Number	MFCD09029299
Molecular Formula	C8H6FN
Molecular Weight	135.1383
SMILES	C(#C)c1c(F)ccc(c1)N
Synonyms	3-Ethynyl-4-fluoroaniline, 77123-60-5, 3-Ethynyl-4-fluorobenzenamine, 3-Cyano-4-fluoro-aniline, 3-Ethynyl-4-fluoro-aniline, SCHEMBL641650, CTK8B5713, KS-00000OZA, DTXSID30506904, HWMVCSBQJWRQNF-UHFFFAOYSA-N, ANW-49767, MFCD09029299, ZINC21984820, AKOS006291572, GS-4117, RP01053, AC-14014, AJ-79256, AK-51352, BR-51352, CJ-17075, AB0026657, TC-138512, 4CH-010756, FT-0660391, ST24022869, W8375, Y9891, S-6638, J-512442, J-516694, C8H6FN, 5-Amino-2-fluorobenzonitrile, 5-Amino-2-fluoro-benzonitrile, Benzenamine, 3-ethynyl-4-fluoro- (9CI),

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	1
Isotope Atom Count	0
Molecular Weight	135.141g/mol
Monoisotopic Mass	135.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

Certificate of Analysis

Lot Number