CAS 446-48-0 | 1-(Bromomethyl)-2-fluorobenzene | CAS Number 446-48-0

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446-48-0 | 1-(Bromomethyl)-2-fluorobenzene

CAS No: 446-48-0 Catalog No: AG0033BP MDL No:MFCD00000324

Product Description

Catalog Number:

AG0033BP

Chemical Name:

1-(Bromomethyl)-2-fluorobenzene

CAS Number:

446-48-0

Molecular Formula:

C7H6BrF

Molecular Weight:

189.0249

MDL Number:

MFCD00000324

IUPAC Name:

1-(bromomethyl)-2-fluorobenzene

InChI:

InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

InChI Key:

FFWQLZFIMNTUCZ-UHFFFAOYSA-N

SMILES:

BrCc1ccccc1F

EC Number:

207-169-1

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.027g/mol

Monoisotopic Mass:

187.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.	Journal of combinatorial chemistry 20090112
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.	Journal of combinatorial chemistry 20090112