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101900-98-5,MFCD19690424
Catalog No.:AA0005T0
101900-98-5 | 4-Chloro-2-methylpyrido[3,4-d]pyrimidine
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  • Technical Information
  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005T0
Chemical Name:
4-Chloro-2-methylpyrido[3,4-d]pyrimidine
CAS Number:
101900-98-5
Molecular Formula:
C8H6ClN3
Molecular Weight:
179.6063
MDL Number:
MFCD19690424
IUPAC Name:
4-chloro-2-methylpyrido[3,4-d]pyrimidine
InChI:
InChI=1S/C8H6ClN3/c1-5-11-7-4-10-3-2-6(7)8(9)12-5/h2-4H,1H3
InChI Key:
AAEIBEFIEMQBRL-UHFFFAOYSA-N
SMILES:
Cc1nc2cnccc2c(n1)Cl
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.607g/mol
Monoisotopic Mass:
179.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
4-Chloro-2-methylpyrido[3,4-d]pyrimidine 
101900-98-5 
SCHEMBL17898315 
DTXSID30544427 
ZINC91301683 
FCH1193530 
AJ-129819 
AX8248850 
Pyrido[3,4-d]pyrimidine, 4-chloro-2-methyl- 
F2167-5216 
Literature
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