3-Bromobenzyl fluoride

CAT: 0127-PC56792-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC56792-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

456-43-9

MDL Number

MFCD25963568

Purity

95%

Smiles

FCc1cccc(Br)c1

Additionnal Information

Packaged in HDPE bottles

Storage Conditions

Store at -20°C

Chemical Information

1-Bromo-3-(fluoromethyl)benzene

CAS Number	456-43-9
PubChem CID	12844396
IUPAC Name	1-bromo-3-(fluoromethyl)benzene
Molecular Formula	C7H6BrF
Molecular Weight	189.02
XLogP	3.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C1=CC(=CC(=C1)Br)CF

InChI

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

InChIKey

MHHSSQKXFRACNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 456-43-9

CID: 12844396

Formula: C7H6BrF

MW: 189.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.02
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.96369
Monoisotopic Mass	187.96369
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC56790-01	2-Bromobenzyl fluoride
PC56794-01	4-Bromobenzyl fluoride
PC50007-01	3-Bromobenzal fluoride
PC49528-01	4-Bromobenzal fluoride
OR1082381	(3-Bromobenzyl) -diisopropylamine
OR1021468	3-Bromobenzyl thiocyanate
OR4547	3-Bromobenzyl chloride
PC1001349-01	4-Bromobenzoyl fluoride
PC01660-01	2-Bromobenzal fluoride
OR1095864	(3-Bromobenzyl) -diethylamine

Catalog	Name
AAA45949-01	4-Bromobenzyl fluoride
AAA44647-01	2-Bromobenzyl fluoride
AAA45465	3-Bromobenzenesulfonyl fluoride
JH913508	3-Azetidinemethanesulfonyl fluoride
GTR19235964-01	3-Trifluoromethylphenoxytetrafluoroethanesulphonyl fluoride
NAD92948-01	(3-Methylphenyl) methanesulfonyl fluoride
T30371-01	Benzenesulfonyl fluoride, 3- (chlorosulfonyl) -
MBS5780005	Benzenesulfonyl fluoride, 3-ethyl-
RG-E140873-01	3- (bromomethyl) benzenesulfonyl fluoride
sc-260605	3- (Trifluoromethyl) benzoyl fluoride