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13784-35-5 | 5H-Pyrrolo[3,4-d]pyrimidine, 4-chloro-6,7-dihydro-6,7,7-trimethyl-, hydrochloride (1:1)
CAS No: 13784-35-5 Catalog No: AG0013XV MDL No:
Product Description
Catalog Number:
AG0013XV
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 4-chloro-6,7-dihydro-6,7,7-trimethyl-, hydrochloride (1:1)
CAS Number:
13784-35-5
Molecular Formula:
C9H13Cl2N3
Molecular Weight:
234.1256
IUPAC Name:
4-chloro-6,7,7-trimethyl-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C9H12ClN3.ClH/c1-9(2)7-6(4-13(9)3)8(10)12-5-11-7;/h5H,4H2,1-3H3;1H
InChI Key:
MOYXOHBIANGCJQ-UHFFFAOYSA-N
SMILES:
CN1Cc2c(C1(C)C)ncnc2Cl.Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.124g/mol
Monoisotopic Mass:
233.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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