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1314790-85-6 | 5H-Pyrrolo[3,4-d]pyrimidine, 2-chloro-6,7-dihydro-, hydrochloride (1:1)
CAS No: 1314790-85-6 Catalog No: AG000W9Q MDL No:MFCD17171437
Product Description
Catalog Number:
AG000W9Q
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 2-chloro-6,7-dihydro-, hydrochloride (1:1)
CAS Number:
1314790-85-6
Molecular Formula:
C6H7Cl2N3
Molecular Weight:
192.0459
MDL Number:
MFCD17171437
IUPAC Name:
2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C6H6ClN3.ClH/c7-6-9-2-4-1-8-3-5(4)10-6;/h2,8H,1,3H2;1H
InChI Key:
BPTXRFXCELOADD-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)CNC2.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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