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157903-42-9 | Benzamide, N-[(1R,2R)-2-hydroxy-1-methyl-2-phenylethyl]-
CAS No: 157903-42-9 Catalog No: AG001PT4 MDL No:
Product Description
Catalog Number:
AG001PT4
Chemical Name:
Benzamide, N-[(1R,2R)-2-hydroxy-1-methyl-2-phenylethyl]-
CAS Number:
157903-42-9
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
InChI:
InChI=1S/C16H17NO2/c1-12(15(18)13-8-4-2-5-9-13)17-16(19)14-10-6-3-7-11-14/h2-12,15,18H,1H3,(H,17,19)/t12-,15+/m1/s1
InChI Key:
SWKXFNVKDLDJBD-DOMZBBRYSA-N
SMILES:
O[C@@H]([C@H](NC(=O)c1ccccc1)C)c1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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