Methyl 5-Fluoro-2-methyl-3-nitrobenzoate - CAS 697739-03-0

Catalog:	BB033966
Product Name:	Methyl 5-Fluoro-2-methyl-3-nitrobenzoate
CAS:	697739-03-0
Synonyms:	5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester; methyl 5-fluoro-2-methyl-3-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-fluoro-2-methyl-3-nitrobenzoate
Description:	Methyl 5-Fluoro-2-methyl-3-nitrobenzoate (CAS# 697739-03-0) is a useful research chemical.
Molecular Weight:	213.16
Molecular Formula:	C9H8FNO4
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)OC)F)[N+](=O)[O-]
InChI:	InChI=1S/C9H8FNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
InChI Key:	QOEAMLSLLJPIRF-UHFFFAOYSA-N
Appearance:	Powder
LogP:	2.35210

Publication Number	Title	Priority Date
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Related Functional Groups

Carbonyl 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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0437359
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.0437359
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1