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17498-74-7 | 2-Butanol, 4-bromo-3-methyl-
CAS No: 17498-74-7 Catalog No: AG00202Q MDL No:
Product Description
Catalog Number:
AG00202Q
Chemical Name:
2-Butanol, 4-bromo-3-methyl-
CAS Number:
17498-74-7
Molecular Formula:
C5H11BrO
Molecular Weight:
167.0442
IUPAC Name:
4-bromo-3-methylbutan-2-ol
InChI:
InChI=1S/C5H11BrO/c1-4(3-6)5(2)7/h4-5,7H,3H2,1-2H3
InChI Key:
OWGORXPUJNXZJE-UHFFFAOYSA-N
SMILES:
CC(C(O)C)CBr
Properties
Complexity:
47.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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