2-Bromo-3-methoxyprop-1-ene

CAT: 0926-PDA08930-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PDA08930-01Size:50 mg

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CAS Number

89089-30-5

MDL Number

MFCD00995635

Smiles

COCC (=C) Br

Molecular Formula

C4H7BrO

Molecular Weight

151 g/mol

Controlled

Chemical Information

2-Bromo-3-methoxyprop-1-ene

CAS Number	89089-30-5
PubChem CID	13215587
IUPAC Name	2-bromo-3-methoxyprop-1-ene
Molecular Formula	C4H7BrO
Molecular Weight	151.00
XLogP	1.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	51

SMILES

COCC(=C)Br

InChI

InChI=1S/C4H7BrO/c1-4(5)3-6-2/h1,3H2,2H3

InChIKey

MZAAWMJMBVOMHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89089-30-5

CID: 13215587

Formula: C4H7BrO

MW: 151.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.00
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	149.96803
Monoisotopic Mass	149.96803
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	51.5
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