2-Bromo-1-propanol

CAT: 0024-sc-504283Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504283Size:100 mg

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CAS Number

598-18-5

Chemical Information

2-Bromopropan-1-ol

CAS Number	598-18-5
PubChem CID	11713
IUPAC Name	2-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	1
Heavy Atom Count	5
Formal Charge	0
Complexity	22

SMILES

CC(CO)Br

InChI

InChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3

InChIKey

DBTWOTKWIVISQR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 598-18-5

CID: 11713

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	1
Exact Mass	137.96803
Monoisotopic Mass	137.96803
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	22.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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