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128693-48-1 | 1-Butanol, 4-bromo-3-methyl-, (3R)-
CAS No: 128693-48-1 Catalog No: AG000YBV MDL No:MFCD28346469
Product Description
Catalog Number:
AG000YBV
Chemical Name:
1-Butanol, 4-bromo-3-methyl-, (3R)-
CAS Number:
128693-48-1
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
MDL Number:
MFCD28346469
IUPAC Name:
(3R)-4-bromo-3-methylbutan-1-ol
InChI:
InChI=1S/C5H11BrO/c1-5(4-6)2-3-7/h5,7H,2-4H2,1H3/t5-/m1/s1
InChI Key:
XJENZFJXAHFAQI-RXMQYKEDSA-N
SMILES:
OCC[C@H](CBr)C
Properties
Complexity:
39.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
165.999g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.046g/mol
Monoisotopic Mass:
165.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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