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71249-01-9 | Butanoic acid, 4,4,4-tribromo-
CAS No: 71249-01-9 Catalog No: AG005K1E MDL No:
Product Description
Catalog Number:
AG005K1E
Chemical Name:
Butanoic acid, 4,4,4-tribromo-
CAS Number:
71249-01-9
Molecular Formula:
C4H5Br3O2
Molecular Weight:
324.7933
IUPAC Name:
4,4,4-tribromobutanoic acid
InChI:
InChI=1S/C4H5Br3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
HBXUQBJHEHAGKF-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(Br)(Br)Br
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.782g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.794g/mol
Monoisotopic Mass:
321.784g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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