2-Fluoro-5-nitro-m-xylene - CAS 1736-85-2

Catalog:	BB012942
Product Name:	2-Fluoro-5-nitro-m-xylene
CAS:	1736-85-2
Synonyms:	2-fluoro-1,3-dimethyl-5-nitrobenzene; 2-fluoro-1,3-dimethyl-5-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-fluoro-1,3-dimethyl-5-nitrobenzene
Description:	2-Fluoro-5-nitro-m-xylene (CAS# 1736-85-2) is an intermediate used to prepare (benzoylaminophenoxy)phenol derivatives as androgen receptor antagonists.
Molecular Weight:	169.15
Molecular Formula:	C8H8FNO2
Canonical SMILES:	CC1=CC(=CC(=C1F)C)[N+](=O)[O-]
InChI:	InChI=1S/C8H8FNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
InChI Key:	VJEBIHTVWPSCEM-UHFFFAOYSA-N
Appearance:	Yellow crystalline powder
LogP:	2.87390

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.05390666
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.05390666
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6