CAS 117358-51-7 | Benzene, 1,3-difluoro-5-methyl- | CAS Number 117358-51-7

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117358-51-7 | Benzene, 1,3-difluoro-5-methyl-

CAS No: 117358-51-7 Catalog No: AG000E6L MDL No:MFCD00797323

Product Description

Catalog Number:

AG000E6L

Chemical Name:

Benzene, 1,3-difluoro-5-methyl-

CAS Number:

117358-51-7

Molecular Formula:

C7H6F2

Molecular Weight:

128.1193

MDL Number:

MFCD00797323

IUPAC Name:

1,3-difluoro-5-methylbenzene

InChI:

InChI=1S/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

InChI Key:

YISYUYYETHYYMD-UHFFFAOYSA-N

SMILES:

Cc1cc(F)cc(c1)F

Properties

Complexity:

82.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.122g/mol

Monoisotopic Mass:

128.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Fluorinated dual antithrombotic compounds based on 1,4-benzoxazine scaffold.	European journal of medicinal chemistry 20120401
Carbene-based ruthenium photosensitizers.	Dalton transactions (Cambridge, England : 2003) 20110707
Observation of vibronic emission spectrum of jet-cooled 3,5-difluorobenzyl radical.	The journal of physical chemistry. A 20100902
Synthesis and anti-human immunodeficiency virus type 1 activity of (E)-N-phenylstyryl-N-alkylacetamide derivatives.	Molecules (Basel, Switzerland) 20090826
Substituent effects on the structures of silver complexes with monoazatrithia-12-crown-4 ethers bearing substituted aromatic rings.	Inorganic chemistry 20070806