AG003GF8

80517-22-2 | 2-Amino-4-fluorobenzonitrile

AG003GF8

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CAS Number	80517-22-2
Catalog Number	AG003GF8(AGN-PC-0MW1ZU)
Chemical Name	2-Amino-4-fluorobenzonitrile
IUPAC Name	2-amino-4-fluorobenzonitrile
InChI	InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChI Key	CBXKVIFVKCNVGJ-UHFFFAOYSA-N
MDL Number	MFCD09955451
Molecular Formula	C7H5FN2
Molecular Weight	136.1264
SMILES	NC1=C(C#N)C=CC(=C1)F
Synonyms	2-Amino-4-fluorobenzonitrile, 80517-22-2, 4-FLUOROANTHRANILONITRILE, Benzonitrile, 2-amino-4-fluoro-, 2-amino-4-fluoro-benzonitrile, PubChem18459, KSC494E4R, SCHEMBL404482, CTK3J4248, DTXSID80433079, CBXKVIFVKCNVGJ-UHFFFAOYSA-N, 2-amino-4-fluorobenzenecarbonitrile, ACN-S003728, ACT12301, KS-000009SH, ANW-51886, CA-999, CL8140, MFCD09955451, SBB051449, ZINC16159342, AKOS005063963, AC-1909, AS01602, CS-W019217, MCULE-1863134491, PS-9113, RTR-025464, TRA-0201335, AJ-68658, AK-27767, AN-14510, BC226704, BR-27767, CJ-15458, SC-21893, SY004378, AB0007503, AB1000097, ST2416389, TR-025464, AM20050562, FT-0084970, FT-0649042, MFCD09955451 (98%), M-3386, 4-fluoroanthranilonitrile, 2-cyano-5-fluoroaniline, 517A222, I01-2436, null, C7H5FN2, CID9942158,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.044g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.129g/mol
Monoisotopic Mass	136.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^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

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