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1458-98-6 | 1-Propene, 3-bromo-2-methyl- (9CI)
CAS No: 1458-98-6 Catalog No: AG001DFD MDL No:MFCD00134155
Product Description
Catalog Number:
AG001DFD
Chemical Name:
1-Propene, 3-bromo-2-methyl- (9CI)
CAS Number:
1458-98-6
Molecular Formula:
C4H7Br
Molecular Weight:
135.0024
MDL Number:
MFCD00134155
IUPAC Name:
3-bromo-2-methylprop-1-ene
InChI:
InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
InChI Key:
USEGQJLHQSTGHW-UHFFFAOYSA-N
SMILES:
CC(=C)CBr
NSC Number:
617310
Properties
Complexity:
38.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.973g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.004g/mol
Monoisotopic Mass:
133.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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