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

Catalog:	BB012609
Product Name:	1-Bromo-4-fluoro-2-methyl-5-nitrobenzene
CAS:	170098-98-3
Synonyms:	1-bromo-4-fluoro-2-methyl-5-nitrobenzene; 1-bromo-4-fluoro-2-methyl-5-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-4-fluoro-2-methyl-5-nitrobenzene
Description:	1-Bromo-4-fluoro-2-methyl-5-nitrobenzene (CAS# 170098-98-3) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	CC1=CC(=C(C=C1Br)[N+](=O)[O-])F
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
LogP:	3.32800

Publication Number	Title	Priority Date
WO-2021084765-A1	4-aminobut-2-enamide derivatives and salts thereof	20191031
WO-2021085653-A1	4-aminobut-2-enamide derivatives and salts thereof	20191031
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WO-2020104822-A1	Compounds	20181123

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[351-28-0]
3'-Fluoroacetanilide

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9