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1578-72-9 | 2-Propenoic acid, 2,3-dibromo-, (2E)-
CAS No: 1578-72-9 Catalog No: AG001PPU MDL No:
Product Description
Catalog Number:
AG001PPU
Chemical Name:
2-Propenoic acid, 2,3-dibromo-, (2E)-
CAS Number:
1578-72-9
Molecular Formula:
C3H2Br2O2
Molecular Weight:
229.8548
IUPAC Name:
(E)-2,3-dibromoprop-2-enoic acid
InChI:
InChI=1S/C3H2Br2O2/c4-1-2(5)3(6)7/h1H,(H,6,7)/b2-1+
InChI Key:
AZAFGYLHYXBSMI-OWOJBTEDSA-N
SMILES:
OC(=O)/C(=C\Br)/Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
229.84g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.855g/mol
Monoisotopic Mass:
227.842g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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