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1059735-34-0 | 7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CAS No: 1059735-34-0 Catalog No: AG003890 MDL No:MFCD11846183
Product Description
Catalog Number:
AG003890
Chemical Name:
7-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CAS Number:
1059735-34-0
Molecular Formula:
C14H13Cl2N3
Molecular Weight:
294.1791
MDL Number:
MFCD11846183
IUPAC Name:
7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
InChI:
InChI=1S/C14H13Cl2N3/c15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13/h1-5H,6-9H2
InChI Key:
CTNDGYOJDNSZMQ-UHFFFAOYSA-N
SMILES:
Clc1nc2CN(CCc2c(n1)Cl)Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.179g/mol
Monoisotopic Mass:
293.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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