AG0039HR

170098-98-3 | 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene

AG0039HR

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CAS Number	170098-98-3
Catalog Number	AG0039HR(AGN-PC-0MXOHQ)
Chemical Name	1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
IUPAC Name	1-bromo-4-fluoro-2-methyl-5-nitrobenzene
InChI	InChI=1S/C7H5BrFNO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3
InChI Key	VMXDJIHJOUZBAW-UHFFFAOYSA-N
MDL Number	MFCD11110550
Molecular Formula	C7H5BrFNO2
Molecular Weight	234.0225
SMILES	BrC1=C(C=C(C(=C1)[N+](=O)[O-])F)C
Synonyms	1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, 170098-98-3, 2-Bromo-5-fluoro-4-nitrotoluene, Benzene, 1-bromo-4-fluoro-2-methyl-5-nitro-, AK146752, 1-bromo-4-fluoro-2-methyl-5-nitro-benzene, SCHEMBL601789, VMXDJIHJOUZBAW-UHFFFAOYSA-N, ZX-AP012020, MFCD11110550, ZINC34117563, AKOS022186987, FCH1402694, PC51134, KS-00000S50, AJ-87042, AS-19432, SY039007, 2-BROMO-5-FLUORO-4-NITRO TOLUENE, AX8284286, CS-0036275, X8161, MFCD11110550 (95%), C7H5BrFNO2, CID10036983,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.024g/mol
Monoisotopic Mass	232.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number