3-Bromo-1-propanol

CAT: 0024-sc-256461Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-256461Size:5 g

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CAS Number

627-18-9

Chemical Information

3-Bromo-1-propanol

3-Bromo-1-propanol is a primary alcohol.

CAS Number	627-18-9
PubChem CID	12308
IUPAC Name	3-bromopropan-1-ol
Molecular Formula	C3H7BrO
Molecular Weight	138.99
XLogP	0.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	16

SMILES

C(CO)CBr

InChI

InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

InChIKey

RQFUZUMFPRMVDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 627-18-9

CID: 12308

Formula: C3H7BrO

MW: 138.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.99
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	137.96803
Monoisotopic Mass	137.96803
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	16.4
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