1,2-Difluoro-3-methyl-4-nitrobenzene - CAS 914348-35-9

Catalog:	BB040188
Product Name:	1,2-Difluoro-3-methyl-4-nitrobenzene
CAS:	914348-35-9
Synonyms:	1,2-difluoro-3-methyl-4-nitrobenzene; 1,2-difluoro-3-methyl-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2-difluoro-3-methyl-4-nitrobenzene
Description:	1,2-Difluoro-3-methyl-4-nitrobenzene (CAS# 914348-35-9) is a useful research chemical.
Molecular Weight:	173.12
Molecular Formula:	C7H5F2NO2
Canonical SMILES:	CC1=C(C=CC(=C1F)F)[N+](=O)[O-]
InChI:	InChI=1S/C7H5F2NO2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,1H3
InChI Key:	ODMLBEQUDLHJMW-UHFFFAOYSA-N
Boiling Point:	223.728 °C at 760 mmHg
Density:	1.374 g/cm³
LogP:	2.70460

Publication Number	Title	Priority Date
CA-3103120-A1	Chemical compounds	20191220
US-2021188829-A1	Chemical Compounds	20191220
WO-2021124155-A1	Benzimidazole derivatives	20191220
WO-2020192581-A1	Wee1 inhibitor and preparation and use thereof	20190322
AU-2018228114-A1	AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND	20170228

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.02883473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.02883473
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3