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16507-32-7 | Butanoic acid, 3,4-dibromo-
CAS No: 16507-32-7 Catalog No: AG001V9N MDL No:
Product Description
Catalog Number:
AG001V9N
Chemical Name:
Butanoic acid, 3,4-dibromo-
CAS Number:
16507-32-7
Molecular Formula:
C4H6Br2O2
Molecular Weight:
245.8972
IUPAC Name:
3,4-dibromobutanoic acid
InChI:
InChI=1S/C4H6Br2O2/c5-2-3(6)1-4(7)8/h3H,1-2H2,(H,7,8)
InChI Key:
BETGACHBPWABRB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CBr)Br
NSC Number:
106868
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.871g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.898g/mol
Monoisotopic Mass:
243.873g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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