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209963-04-2 | Benzeneethanol, β-amino-3-bromo-, (βR)-
CAS No: 209963-04-2 Catalog No: AG002KHY MDL No:MFCD12758090
Product Description
Catalog Number:
AG002KHY
Chemical Name:
Benzeneethanol, β-amino-3-bromo-, (βR)-
CAS Number:
209963-04-2
Molecular Formula:
C8H10BrNO
Molecular Weight:
216.0751
MDL Number:
MFCD12758090
IUPAC Name:
(2R)-2-amino-2-(3-bromophenyl)ethanol
InChI:
InChI=1S/C8H10BrNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m0/s1
InChI Key:
NWQRKZFQSCBVEY-QMMMGPOBSA-N
SMILES:
OC[C@@H](c1cccc(c1)Br)N
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.078g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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