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114429-91-3 | 3-Furanol, 4-bromotetrahydro-, (3R,4R)-rel-
CAS No: 114429-91-3 Catalog No: AG000BAW MDL No:MFCD28383905
Product Description
Catalog Number:
AG000BAW
Chemical Name:
3-Furanol, 4-bromotetrahydro-, (3R,4R)-rel-
CAS Number:
114429-91-3
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
MDL Number:
MFCD28383905
IUPAC Name:
(3R,4R)-4-bromooxolan-3-ol
InChI:
InChI=1S/C4H7BrO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2H2/t3-,4-/m1/s1
InChI Key:
LUUKWZNQWLUBGM-QWWZWVQMSA-N
SMILES:
Br[C@@H]1COC[C@H]1O
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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