4-Bromo-2-propylphenol

CAT: 0127-OR1055373-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055373-01Size:250 mg

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

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CAS Number

18980-22-8

MDL Number

MFCD22414506

Purity

97%

Smiles

OC1=CC=C(Br)C=C1CCC

Chemical Information

4-Bromo-2-propylphenol

CAS Number	18980-22-8
PubChem CID	22134510
IUPAC Name	4-bromo-2-propylphenol
Molecular Formula	C9H11BrO
Molecular Weight	215.09
XLogP	3.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

CCCC1=C(C=CC(=C1)Br)O

InChI

InChI=1S/C9H11BrO/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6,11H,2-3H2,1H3

InChIKey

AEHYMMFSHCSYAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18980-22-8

CID: 22134510

Formula: C9H11BrO

MW: 215.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.09
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	213.99933
Monoisotopic Mass	213.99933
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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

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