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148684-05-3 | Oxirane, 2-(4-bromophenyl)-, (2S)-
CAS No: 148684-05-3 Catalog No: AG001L3P MDL No:MFCD08277299
Product Description
Catalog Number:
AG001L3P
Chemical Name:
Oxirane, 2-(4-bromophenyl)-, (2S)-
CAS Number:
148684-05-3
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD08277299
IUPAC Name:
(2S)-2-(4-bromophenyl)oxirane
InChI:
InChI=1S/C8H7BrO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChI Key:
NNINSLOEPXEZOZ-MRVPVSSYSA-N
SMILES:
Brc1ccc(cc1)[C@@H]1OC1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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