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27618-24-2 | Propanenitrile, 3-[(3-chloro-2-hydroxypropyl)(3-methylphenyl)amino]-
CAS No: 27618-24-2 Catalog No: AG002U90 MDL No:
Product Description
Catalog Number:
AG002U90
Chemical Name:
Propanenitrile, 3-[(3-chloro-2-hydroxypropyl)(3-methylphenyl)amino]-
CAS Number:
27618-24-2
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
3-(N-(3-chloro-2-hydroxypropyl)-3-methylanilino)propanenitrile
InChI:
InChI=1S/C13H17ClN2O/c1-11-4-2-5-12(8-11)16(7-3-6-15)10-13(17)9-14/h2,4-5,8,13,17H,3,7,9-10H2,1H3
InChI Key:
DJTGFOJEVVODTJ-UHFFFAOYSA-N
SMILES:
ClCC(CN(c1cccc(c1)C)CCC#N)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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