3-Fluorobromobenzene

CAT: 0127-PC1410-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-PC1410-01Size:100 g

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CAS Number

1073-06-9

Synonyms

1-Bromo-3-fluorobenzene

MDL Number

MFCD00000326

Purity

99%

Smiles

Fc1cccc(Br)c1

Chemical Information

1-Bromo-3-fluorobenzene

structure in first source

CAS Number	1073-06-9
PubChem CID	14082
IUPAC Name	1-bromo-3-fluorobenzene
Molecular Formula	C6H4BrF
Molecular Weight	175.00
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C1=CC(=CC(=C1)Br)F

InChI

InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H

InChIKey

QDFKKJYEIFBEFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1073-06-9

CID: 14082

Formula: C6H4BrF

MW: 175.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.00
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	173.94804
Monoisotopic Mass	173.94804
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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
PC1928-01	3-Chloro-2-fluorobromobenzene
PC48299-01	3- (Difluoromethoxy) -4-fluorobromobenzene
PC1420-01	4-Fluorobromobenzene
PC1367-01	3-Chloro-4-fluorobromobenzene
PC53137	3-Ethyl-4-fluorobromobenzene
PC1367M-01	3-Chloro-5-fluorobromobenzene
PC57427-01	3,4-Dichloro-5-fluorobromobenzene
PC1400-01	2-Fluorobromobenzene
PC8928-01	3,5-Dichloro-4-fluorobromobenzene
PC49137-01	2,3-Dichloro-4-fluorobromobenzene

Catalog	Name
269589-01	3-Chloro-5-fluorobromobenzene
AQB57293-01	3,4-Dichloro-5-fluorobromobenzene
F02720-01	O-Fluorobromobenzene
sc-321996A	2,3-Dichloro-5-fluorobromobenzene
sc-322068	2,4-Dichloro-3-fluorobromobenzene
17318-08-0-01	3,5-Dichloro-4-fluorobromobenzene
F02730-01	M-Fluorobromobenzene 97%
F02740-01	P-Fluorobromobenzene 97%
50592-35-3-01	2-Fluorobromobenzene-3,4,5,6-d4
SZB25838-01	4- (Difluoromethoxy) -2-fluorobromobenzene