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101032-45-5 | 1,3-Heptadiene, 7-bromo-, (3E)-
CAS No: 101032-45-5 Catalog No: AG0003LA MDL No:
Product Description
Catalog Number:
AG0003LA
Chemical Name:
1,3-Heptadiene, 7-bromo-, (3E)-
CAS Number:
101032-45-5
Molecular Formula:
C7H11Br
Molecular Weight:
175.0662
IUPAC Name:
7-bromohepta-1,3-diene
InChI:
InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h2-4H,1,5-7H2
InChI Key:
CLYXFXGAMNZAOQ-UHFFFAOYSA-N
SMILES:
BrCCC/C=C/C=C
Properties
Complexity:
74.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.069g/mol
Monoisotopic Mass:
174.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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