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1201781-22-7 | Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2,4-dichloro-7,8-dihydro-, 1-chloroethyl ester
CAS No: 1201781-22-7 Catalog No: AG000QHX MDL No:MFCD13184338
Product Description
Catalog Number:
AG000QHX
Chemical Name:
Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2,4-dichloro-7,8-dihydro-, 1-chloroethyl ester
CAS Number:
1201781-22-7
Molecular Formula:
C10H10Cl3N3O2
Molecular Weight:
310.5643
MDL Number:
MFCD13184338
IUPAC Name:
1-chloroethyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C10H10Cl3N3O2/c1-5(11)18-10(17)16-3-2-7-6(4-16)8(12)15-9(13)14-7/h5H,2-4H2,1H3
InChI Key:
HTUVXXIFOPOXHY-UHFFFAOYSA-N
SMILES:
CC(OC(=O)N1CCc2c(C1)c(Cl)nc(n2)Cl)Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.984g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.559g/mol
Monoisotopic Mass:
308.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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