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1001754-79-5 | Pyrimidine, 2-chloro-4-(4-piperidinyl)-
CAS No: 1001754-79-5 Catalog No: AG00015D MDL No:MFCD10001438
Product Description
Catalog Number:
AG00015D
Chemical Name:
Pyrimidine, 2-chloro-4-(4-piperidinyl)-
CAS Number:
1001754-79-5
Molecular Formula:
C9H12ClN3
Molecular Weight:
197.6647
MDL Number:
MFCD10001438
IUPAC Name:
2-chloro-4-piperidin-4-ylpyrimidine
InChI:
InChI=1S/C9H12ClN3/c10-9-12-6-3-8(13-9)7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2
InChI Key:
CKCJRGFGQMXVLB-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)C1CCNCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.666g/mol
Monoisotopic Mass:
197.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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