AG00C76L

400-97-5 | 4-Iodo-3-nitrobenzotrifluoride

AG00C76L

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CAS Number	400-97-5
Catalog Number	AG00C76L(AGN-PC-001JWB)
Chemical Name	4-Iodo-3-nitrobenzotrifluoride
IUPAC Name	1-iodo-2-nitro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F3INO2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H
InChI Key	CIDKWMAVWQNYNV-UHFFFAOYSA-N
MDL Number	MFCD07783651
Molecular Formula	C7H3F3INO2
Molecular Weight	317.0039
SMILES	[O-][N+](=O)C1=C(I)C=CC(=C1)C(F)(F)F
Synonyms	1-iodo-2-nitro-4-(trifluoromethyl)benzene, 400-97-5, 4-IODO-3-NITROBENZOTRIFLUORIDE, 1-Iodo-2-nitro-4-trifluoromethyl-benzene, 4-Iodo-3-nitrobenzotrifluorid, PubChem4872, AC1Q1WZO, SCHEMBL5038991, CTK8B7824, DTXSID60561061, CIDKWMAVWQNYNV-UHFFFAOYSA-N, ACT13119, 2-nitro-4-trifluoromethyliodobenzene, 5324AB, ANW-58711, MFCD07783651, SBB064422, ZINC32627721, AKOS009359086, AC-4145, AM61522, AS01758, MCULE-2820540128, AJ-85419, AN-12268, SY023639, AB0068262, TC-147456, FT-0652406, ST24038040, EN300-39732, MFCD07783651 (95%), A21378, Benzene, 1-iodo-2-nitro-4-(trifluoromethyl)-, K-8576, Z-8557, AB01000934-01, 4-(TRIFLUOROMETHYL)-1-IODO-2-NITROBENZENE, 4-IODO-3-NITRO-1-(TRIFLUOROMETHYL)BENZENE, I01-4824, C7H3F3INO2,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.916g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.006g/mol
Monoisotopic Mass	316.916g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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