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26391-16-2 | 1-Propene, 1,2-dibromo-
CAS No: 26391-16-2 Catalog No: AG002T0O MDL No:
Product Description
Catalog Number:
AG002T0O
Chemical Name:
1-Propene, 1,2-dibromo-
CAS Number:
26391-16-2
Molecular Formula:
C3H4Br2
Molecular Weight:
199.8719
IUPAC Name:
1,2-dibromoprop-1-ene
InChI:
InChI=1S/C3H4Br2/c1-3(5)2-4/h2H,1H3
InChI Key:
JVNZUEVMRPWHLF-UHFFFAOYSA-N
SMILES:
BrC=C(Br)C
EC Number:
247-647-7
Properties
Complexity:
46.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.866g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.873g/mol
Monoisotopic Mass:
197.868g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Modular Chemical Descriptor Language (MCDL): Stereochemical modules. | Journal of cheminformatics 20110101 |
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