1-Bromo-2-methylpropane

CAT: 0024-sc-237479ASize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237479ASize:500 g

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CAS Number

78-77-3

Chemical Information

1-Bromo-2-methylpropane

CAS Number	78-77-3
PubChem CID	6555
IUPAC Name	1-bromo-2-methylpropane
Molecular Formula	C4H9Br
Molecular Weight	137.02
XLogP	2.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	17

SMILES

CC(C)CBr

InChI

InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3

InChIKey

HLVFKOKELQSXIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78-77-3

CID: 6555

Formula: C4H9Br

MW: 137.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.02
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	135.98876
Monoisotopic Mass	135.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	17.6
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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