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189681-01-4 | Pyrido[3,4-d]pyrimidine, 4-chloro-6-(phenylmethoxy)-
CAS No: 189681-01-4 Catalog No: AG002DVT MDL No:
Product Description
Catalog Number:
AG002DVT
Chemical Name:
Pyrido[3,4-d]pyrimidine, 4-chloro-6-(phenylmethoxy)-
CAS Number:
189681-01-4
Molecular Formula:
C14H10ClN3O
Molecular Weight:
271.7017
IUPAC Name:
4-chloro-6-phenylmethoxypyrido[3,4-d]pyrimidine
InChI:
InChI=1S/C14H10ClN3O/c15-14-11-6-13(16-7-12(11)17-9-18-14)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
UCQOIQWWCPATPS-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cc(OCc1ccccc1)nc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.704g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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