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191354-42-4 | 1,3-Butanediol, 4-bromo-, (3S)-
CAS No: 191354-42-4 Catalog No: AG002F6V MDL No:MFCD00672873
Product Description
Catalog Number:
AG002F6V
Chemical Name:
1,3-Butanediol, 4-bromo-, (3S)-
CAS Number:
191354-42-4
Molecular Formula:
C4H9BrO2
Molecular Weight:
169.0171
MDL Number:
MFCD00672873
IUPAC Name:
(3S)-4-bromobutane-1,3-diol
InChI:
InChI=1S/C4H9BrO2/c5-3-4(7)1-2-6/h4,6-7H,1-3H2/t4-/m0/s1
InChI Key:
QCNUSBDGDRMPKD-BYPYZUCNSA-N
SMILES:
OCC[C@@H](CBr)O
Properties
Complexity:
40.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.979g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.018g/mol
Monoisotopic Mass:
167.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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