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1373228-90-0 | 5H-Pyrrolo[3,4-d]pyrimidine, 4-chloro-6,7-dihydro-, hydrochloride (1:1)
CAS No: 1373228-90-0 Catalog No: AG00134X MDL No:
Product Description
Catalog Number:
AG00134X
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 4-chloro-6,7-dihydro-, hydrochloride (1:1)
CAS Number:
1373228-90-0
Molecular Formula:
C6H7Cl2N3
Molecular Weight:
192.0459
IUPAC Name:
4-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C6H6ClN3.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h3,8H,1-2H2;1H
InChI Key:
KARWNLUMQZYEMG-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1CNC2.Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.043g/mol
Monoisotopic Mass:
191.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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