AG00BY4R

400-67-9 | 2-Amino-3-chloro-5-nitrobenzotrifluoride

AG00BY4R

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CAS Number	400-67-9
Catalog Number	AG00BY4R(AGN-PC-00NYZV)
Chemical Name	2-Amino-3-chloro-5-nitrobenzotrifluoride
IUPAC Name	2-chloro-4-nitro-6-(trifluoromethyl)aniline
InChI	InChI=1S/C7H4ClF3N2O2/c8-5-2-3(13(14)15)1-4(6(5)12)7(9,10)11/h1-2H,12H2
InChI Key	MFJODFSUXHFZJR-UHFFFAOYSA-N
MDL Number	MFCD04972736
Molecular Formula	C7H4ClF3N2O2
Molecular Weight	240.5671
SMILES	NC1=C(C=C(C=C1Cl)[N+]([O-])=O)C(F)(F)F
Synonyms	2-Amino-3-chloro-5-nitrobenzotrifluoride, 400-67-9, 2-Chloro-4-nitro-6-(trifluoromethyl)aniline, AK-35032, 2-Chloro-4-nitro-6-trifluoromethylaniline, PubChem2763, SCHEMBL2434889, DTXSID20549401, MFJODFSUXHFZJR-UHFFFAOYSA-N, ACT13144, CS-D0129, KS-00000JD6, ZX-AP005173, 5304AB, ACM400679, MFCD04972736, PC1985, SBB064788, ZINC16158414, AKOS015890328, AJ-68522, CC-09995, DS-12359, SY047055, AX8020657, DB-020835, FT-0632089, ST24039906, 2-Chloro-4-nitro-6-trifluoromethylphenylamine, MFCD04972736 (95%), 2-Chloro-4-nitro-6-trifluoromethyl-phenylamine, A21506, 2-chloro-4-nitro-6-(trifluoromethyl)phenylamine, C-14428, Benzenamine, 2-chloro-4-nitro-6-(trifluoromethyl)-, I01-5851, Not Available, C7H4ClF3N2O2,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.991g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.566g/mol
Monoisotopic Mass	239.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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