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Home > Nitro Compounds > 59995-59-4
59995-59-4 | (S)-Bunitrolol
CAS No: 59995-59-4 Catalog No: AG00F2IG MDL No:
Product Description
Catalog Number:
AG00F2IG
Chemical Name:
(S)-Bunitrolol
CAS Number:
59995-59-4
IUPAC Name:
2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3/t12-/m0/s1
InChI Key:
VCVQSRCYSKKPBA-LBPRGKRZSA-N
UNII:
690AM71KOR
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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