AG003HC1

110729-51-6 | 2-Fluoro-N-methyl-5-nitroaniline

AG003HC1

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CAS Number	110729-51-6
Catalog Number	AG003HC1(AGN-PC-00OFDQ)
Chemical Name	2-Fluoro-N-methyl-5-nitroaniline
IUPAC Name	2-fluoro-N-methyl-5-nitroaniline
InChI	InChI=1S/C7H7FN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,1H3
InChI Key	YWKHWTYJUYVMND-UHFFFAOYSA-N
MDL Number	MFCD15527248
Molecular Formula	C7H7FN2O2
Molecular Weight	170.1411
SMILES	O=[N+](C1=CC=C(F)C(NC)=C1)[O-]
Synonyms	2-Fluoro-N-methyl-5-nitroaniline, 110729-51-6, Benzenamine, 2-fluoro-N-methyl-5-nitro-, SCHEMBL7703266, N-Methyl-2-fluoro-5-nitroaniline, MFCD15527248, ZINC34193718, AKOS012389593, TRA0096467, KS-000009Z1, CS-11757, SY029473, FT-0726260, MFCD15527248 (97%), 2-fluoro-N-methyl-5-nitroBenzenamine,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.049g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.143g/mol
Monoisotopic Mass	170.049g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.8A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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