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1260676-83-2 | 5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-7-nitro-
CAS No: 1260676-83-2 Catalog No: AG000R1G MDL No:
Product Description
Catalog Number:
AG000R1G
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-7-nitro-
CAS Number:
1260676-83-2
Molecular Formula:
C6H3ClN4O2
Molecular Weight:
198.5666
IUPAC Name:
4-chloro-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
InChI:
InChI=1S/C6H3ClN4O2/c7-6-5-4(9-2-10-6)3(1-8-5)11(12)13/h1-2,8H
InChI Key:
ZASGWBHDRAOIPY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1ncnc2Cl
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.566g/mol
Monoisotopic Mass:
197.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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