AG00BXEM

41253-01-4 | 1-IODO-3-NITRO-5-BENZOTRIFLUORIDE

AG00BXEM

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CAS Number	41253-01-4
Catalog Number	AG00BXEM(AGN-PC-0NBNYW)
Chemical Name	1-IODO-3-NITRO-5-BENZOTRIFLUORIDE
IUPAC Name	1-iodo-3-nitro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F3INO2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H
InChI Key	BANTUHUNKDGMCA-UHFFFAOYSA-N
MDL Number	MFCD03412248
Molecular Formula	C7H3F3INO2
Molecular Weight	317.0039
SMILES	[O-][N+](=O)C1=CC(I)=CC(=C1)C(F)(F)F
Synonyms	3-Nitro-5-iodobenzotrifluoride, 41253-01-4, 3-Iodo-5-nitrobenzotrifluoride, 1-iodo-3-nitro-5-(trifluoromethyl)benzene, 5-IODO-3-NITRO-1-TRIFLUOROMETHYLBENZENE, 1-IODO-3-NITRO-5-BENZOTRIFLUORIDE, MFCD03412248, AK-35095, SCHEMBL2976324, KS-00000HTX, DTXSID60445877, BANTUHUNKDGMCA-UHFFFAOYSA-N, ACT13132, ZINC2529914, 5677AB, AKOS016005980, AS05934, CM13254, CS-W006494, FCH1324285, AC-26139, AJ-38469, DS-12404, SC-49150, 5-Iodo-3-nitro-1-(trifluoromethyl)benzene, AX8161244, FT-0691112, ST24042379, A21492, 1-Iodo-3-nitro-5-benzotrifluoride; 3-Iodo-5-nitrobenzotrifluoride, C7H3F3INO2, CID10852927,

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	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number