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210554-97-5 | Benzenepropanol, β-amino-4-iodo-, (βR)-
CAS No: 210554-97-5 Catalog No: AG002KVC MDL No:MFCD22200207
Product Description
Catalog Number:
AG002KVC
Chemical Name:
Benzenepropanol, β-amino-4-iodo-, (βR)-
CAS Number:
210554-97-5
Molecular Formula:
C9H12INO
Molecular Weight:
277.1021
MDL Number:
MFCD22200207
IUPAC Name:
(2R)-2-amino-3-(4-iodophenyl)propan-1-ol
InChI:
InChI=1S/C9H12INO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChI Key:
MPCOBLKNQSOAGC-SECBINFHSA-N
SMILES:
OC[C@@H](Cc1ccc(cc1)I)N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.105g/mol
Monoisotopic Mass:
276.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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