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2482-57-7 | 2-Butanol, 1-bromo-
CAS No: 2482-57-7 Catalog No: AG002PJO MDL No:MFCD00059883
Product Description
Catalog Number:
AG002PJO
Chemical Name:
2-Butanol, 1-bromo-
CAS Number:
2482-57-7
Molecular Formula:
C4H9BrO
Molecular Weight:
153.0177
MDL Number:
MFCD00059883
IUPAC Name:
1-bromobutan-2-ol
InChI:
InChI=1S/C4H9BrO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChI Key:
DMRXISNUOWIOKV-UHFFFAOYSA-N
SMILES:
CCC(CBr)O
Properties
Complexity:
30.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.984g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.019g/mol
Monoisotopic Mass:
151.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase. | Protein science : a publication of the Protein Society 20020601 |
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