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1245-96-1 | 4(3H)-Pyrimidinone, 5-chloro-2-heptadecyl-6-hydroxy-
CAS No: 1245-96-1 Catalog No: AG000M53 MDL No:
Product Description
Catalog Number:
AG000M53
Chemical Name:
4(3H)-Pyrimidinone, 5-chloro-2-heptadecyl-6-hydroxy-
CAS Number:
1245-96-1
Molecular Formula:
C21H37ClN2O2
Molecular Weight:
384.9837
IUPAC Name:
5-chloro-2-heptadecyl-4-hydroxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C21H37ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(25)19(22)21(26)24-18/h2-17H2,1H3,(H2,23,24,25,26)
InChI Key:
BPWCVPREKZTHBL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCc1nc(O)c(c(=O)[nH]1)Cl
NSC Number:
67796
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.254g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.989g/mol
Monoisotopic Mass:
384.254g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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