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85738-96-1 | 1-Butene, 1-bromo-3-methyl-
CAS No: 85738-96-1 Catalog No: AG004S75 MDL No:
Product Description
Catalog Number:
AG004S75
Chemical Name:
1-Butene, 1-bromo-3-methyl-
CAS Number:
85738-96-1
Molecular Formula:
C5H9Br
Molecular Weight:
149.0290
IUPAC Name:
1-bromo-3-methylbut-1-ene
InChI:
InChI=1S/C5H9Br/c1-5(2)3-4-6/h3-5H,1-2H3
InChI Key:
OZAGLZYGLSIUTG-UHFFFAOYSA-N
SMILES:
BrC=CC(C)C
Properties
Complexity:
45.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.989g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.031g/mol
Monoisotopic Mass:
147.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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