CAS 141776-91-2 | Benzene, 1-(bromomethyl)-3,5-difluoro- | CAS Number 141776-91-2

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141776-91-2 | Benzene, 1-(bromomethyl)-3,5-difluoro-

CAS No: 141776-91-2 Catalog No: AG001H16 MDL No:MFCD00010304

Product Description

Catalog Number:

AG001H16

Chemical Name:

Benzene, 1-(bromomethyl)-3,5-difluoro-

CAS Number:

141776-91-2

Molecular Formula:

C7H5BrF2

Molecular Weight:

207.0154

MDL Number:

MFCD00010304

IUPAC Name:

1-(bromomethyl)-3,5-difluorobenzene

InChI:

InChI=1S/C7H5BrF2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2

InChI Key:

KVSVNRFSKRFPIL-UHFFFAOYSA-N

SMILES:

BrCc1cc(F)cc(c1)F

Properties

Complexity:

97.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.954g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.018g/mol

Monoisotopic Mass:

205.954g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
1-[2-(3,5-Difluoro-benz-yloxy)phen-yl]ethanone.	Acta crystallographica. Section E, Structure reports online 20100901
1-[4-(3,5-Difluoro-benz-yloxy)-2-hy-droxy-phen-yl]ethanone.	Acta crystallographica. Section E, Structure reports online 20100901