AG00BXPU

402-12-0 | 3-Fluoro-4-nitrobenzotrifluoride

AG00BXPU

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CAS Number	402-12-0
Catalog Number	AG00BXPU(AGN-PC-0KZ5F6)
Chemical Name	3-Fluoro-4-nitrobenzotrifluoride
IUPAC Name	2-fluoro-1-nitro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F4NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI Key	OBWDPLOCTVOTMA-UHFFFAOYSA-N
MDL Number	MFCD03840208
Molecular Formula	C7H3F4NO2
Molecular Weight	209.0978
SMILES	[O-][N+](=O)C1=C(F)C=C(C=C1)C(F)(F)F
Synonyms	3-fluoro-4-nitrobenzotrifluoride, 402-12-0, 2-fluoro-1-nitro-4-(trifluoromethyl)benzene, MFCD03840208, 2-Fluoro-4-(trifluoromethyl)nitrobenzene, AK-35048, 2-Fluoro-1-nitro-4-trifluoromethyl-benzene, Benzene, 2-fluoro-1-nitro-4-(trifluoromethyl)-, PubChem4869, PubChem23846, AC1MWD2A, SCHEMBL113070, CTK8E6631, DTXSID00395524, OBWDPLOCTVOTMA-UHFFFAOYSA-N, ACT13113, ZINC2513204, ZX-AP003956, PC4393, SBB064423, AKOS005063752, AC-4141, AM61959, AS01755, CM13248, FCH1326647, AJ-36823, AN-12264, AS-33182, SC-04265, AX8086867, TC-030397, 3-fluoro-4-nitrobenzotrifluoride, AldrichCPR, CS-0033211, FT-0080939, FT-0602728, ST24042175, A21376, Benzene,2-fluoro-1-nitro-4-(trifluoromethyl)-, K-8594, I01-4826, CID3722169,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.1g/mol
Monoisotopic Mass	209.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 3082

Certificate of Analysis

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