AG00C9Q9

403-25-8 | 1-(Difluoromethyl)-3-nitro-benzene

AG00C9Q9

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CAS Number	403-25-8
Catalog Number	AG00C9Q9(AGN-PC-03AU2U)
Chemical Name	1-(Difluoromethyl)-3-nitro-benzene
IUPAC Name	1-(difluoromethyl)-3-nitrobenzene
InChI	InChI=1S/C7H5F2NO2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4,7H
InChI Key	QOGPXSPKXMNSLH-UHFFFAOYSA-N
MDL Number	MFCD18071057
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	FC(C1=CC(=CC=C1)[N+](=O)[O-])F
Synonyms	1-(difluoromethyl)-3-nitrobenzene, 403-25-8, 1-(Difluoromethyl)-3-nitro-benzene, 3-(Difluoromethyl)nitrobenzene, SCHEMBL2014611, CTK7B6793, DTXSID20613272, QOGPXSPKXMNSLH-UHFFFAOYSA-N, 1-Nitro-3-(difluoromethyl)benzene, 2687AE, BBL103580, MFCD18071057, STL557390, ZINC12358984, Benzene,1-(difluoromethyl)-3-nitro-, AKOS005259134, FCH1158278, PC57057, AX8270612, TR-071761, X-4564, 1-(Difluoromethyl)-3-nitro-benzene, AldrichCPR, |A,|A-Difluoro-3-nitrotoluene, C7H5F2NO2,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.119g/mol
Monoisotopic Mass	173.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number