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100606-78-8 | 1-Butanol, 2,3-dibromo-3-methyl-
CAS No: 100606-78-8 Catalog No: AG0002HD MDL No:
Product Description
Catalog Number:
AG0002HD
Chemical Name:
1-Butanol, 2,3-dibromo-3-methyl-
CAS Number:
100606-78-8
Molecular Formula:
C5H10Br2O
Molecular Weight:
245.9403
IUPAC Name:
2,3-dibromo-3-methylbutan-1-ol
InChI:
InChI=1S/C5H10Br2O/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3
InChI Key:
LMGPFXRHXHKQCR-UHFFFAOYSA-N
SMILES:
OCC(C(Br)(C)C)Br
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.908g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.942g/mol
Monoisotopic Mass:
243.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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