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114446-56-9 | Furan, 2-(4-bromophenyl)tetrahydro-, (S)- (9CI)
CAS No: 114446-56-9 Catalog No: AG000EEP MDL No:
Product Description
Catalog Number:
AG000EEP
Chemical Name:
Furan, 2-(4-bromophenyl)tetrahydro-, (S)- (9CI)
CAS Number:
114446-56-9
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
(2S)-2-(4-bromophenyl)oxolane
InChI:
InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2/t10-/m0/s1
InChI Key:
OUJWSBTVHIGHIS-JTQLQIEISA-N
SMILES:
Brc1ccc(cc1)[C@@H]1CCCO1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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