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1196156-15-6 | Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-chloro-5,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1196156-15-6 Catalog No: AG000PCV MDL No:MFCD13189593
Product Description
Catalog Number:
AG000PCV
Chemical Name:
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-chloro-5,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1196156-15-6
Molecular Formula:
C12H16ClN3O2
Molecular Weight:
269.7273
MDL Number:
MFCD13189593
IUPAC Name:
tert-butyl 2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-8-6-14-10(13)15-9(8)7-16/h6H,4-5,7H2,1-3H3
InChI Key:
KIYPBPWOWVKRDG-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc(nc2)Cl)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.729g/mol
Monoisotopic Mass:
269.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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