2-Chloro-5H-pyrrolo[3,2-d]pyrimidine - CAS 1119280-66-8
Catalog: |
BB073131 |
Product Name: |
2-Chloro-5H-pyrrolo[3,2-d]pyrimidine |
CAS: |
1119280-66-8 |
Synonyms: |
2-Chloro-5H-pyrrolo[3,2-d]pyrimidine; 2-Chloro-1H-pyrrolo[3,2-d]pyrimidine; chloropyrrolopyrimidine |
IUPAC Name: | 2-chloro-5H-pyrrolo[3,2-d]pyrimidine |
Molecular Weight: | 153.56 |
Molecular Formula: | C6H4N3Cl |
Canonical SMILES: | C1=CNC2=CN=C(N=C21)Cl |
InChI: | InChI=1S/C6H4ClN3/c7-6-9-3-5-4(10-6)1-2-8-5/h1-3,8H |
InChI Key: | LWPPASWKWXDDFK-UHFFFAOYSA-N |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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