2-(3,4-Difluorophenyl)acetophenone - CAS 845781-26-2

Catalog:	BB037243
Product Name:	2-(3,4-Difluorophenyl)acetophenone
CAS:	845781-26-2
Synonyms:	2-(3,4-difluorophenyl)-1-phenylethanone; 2-(3,4-difluorophenyl)-1-phenylethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3,4-difluorophenyl)-1-phenylethanone
Description:	2-(3,4-Difluorophenyl)acetophenone (CAS# 845781-26-2) is a useful research chemical.
Molecular Weight:	232.23
Molecular Formula:	C14H10F2O
Canonical SMILES:	C1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)F)F
InChI:	InChI=1S/C14H10F2O/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8H,9H2
InChI Key:	VASGMXRRRZLAAW-UHFFFAOYSA-N
LogP:	3.39020

Publication Number	Title	Priority Date
EP-2480086-A1	Novel dihydropyrimidin-2(1h)-one compounds as s-nitrosoglutathione reductase inhibitors	20090925
JP-2013505949-A	Novel dihydropyrimidin-2 (1H) -one compounds as S-nitrosoglutathione reductase inhibitors	20090925
JP-5775519-B2	Novel dihydropyrimidin-2 (1H) -one compounds as S-nitrosoglutathione reductase inhibitors	20090925
US-2012208817-A1	Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors	20090925
US-2014235640-A1	Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors	20090925

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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
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.06997126
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.06997126
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4