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127913-44-4 | Butanenitrile, 4-chloro-3-hydroxy-, (3S)-
CAS No: 127913-44-4 Catalog No: AG000XKP MDL No:MFCD00273363
Product Description
Catalog Number:
AG000XKP
Chemical Name:
Butanenitrile, 4-chloro-3-hydroxy-, (3S)-
CAS Number:
127913-44-4
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
MDL Number:
MFCD00273363
IUPAC Name:
(3S)-4-chloro-3-hydroxybutanenitrile
InChI:
InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1
InChI Key:
LHBPNZDUNCZWFL-BYPYZUCNSA-N
SMILES:
O[C@H](CCl)CC#N
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
119.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.548g/mol
Monoisotopic Mass:
119.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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