1- (4-bromophenyl) heptane

CAT: 0024-sc-264578Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264578Size:1 g

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CAS Number

76287-49-5

Chemical Information

1-Bromo-4-heptylbenzene

CAS Number	76287-49-5
PubChem CID	2775100
IUPAC Name	1-bromo-4-heptylbenzene
Molecular Formula	C13H19Br
Molecular Weight	255.19
XLogP	5.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	125

SMILES

CCCCCCCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3

InChIKey

YHKMTIJHJWYYAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76287-49-5

CID: 2775100

Formula: C13H19Br

MW: 255.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.19
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	254.06701
Monoisotopic Mass	254.06701
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	125
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
sc-264577	1- (4-bromophenyl) heptan-1-one
sc-264569	1- (4-bromophenoxy) heptane
sc-297433A	1- (4-Bromophenyl) cyclopentanecarbonitrile
sc-281842	1- (4-Bromophenyl) piperazine
sc-264580	1- (4-bromophenyl) octane
sc-351882	1- (4-Bromophenyl) -naphthalene
sc-297433	1- (4-Bromophenyl) cyclopentanecarbonitrile
sc-287016	1- (4-Bromophenyl) cyclopropanamine
sc-287019	1- (4-Bromophenyl) pyrrolidine
sc-258456	1- (4-Bromophenyl) piperidine

Catalog	Name
OR21924	1- (4-Bromophenyl) heptane
JH912964	Bicyclo[2.2.1]heptane, 2- (4-bromophenyl) -
2533349-57-2-01	2- (4-bromophenyl) -Bicyclo[2.2.1]heptane
OR1005929-01	2- (4-Bromophenyl) bicyclo[2.2.1]heptane
JBD31861-01	1- (2-Bromophenyl) -7-oxabicyclo[4.1.0]heptane
BEA65429-01	4- (Bromomethyl) heptane
BAA63906-01	Heptane-4-thiol
ZZB68486-01	Heptane-4-sulfonamide
62226-44-2-01	2- (2-bromophenyl) bicyclo[2.2.1]heptane
OR1047093-01	Heptane-2,4-dione