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Home > Aldehydes > 1255939-60-6
1255939-60-6 | 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxaldehyde, 4-chloro-5-methyl-
CAS No: 1255939-60-6 Catalog No: AG000NX1 MDL No:
Product Description
Catalog Number:
AG000NX1
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxaldehyde, 4-chloro-5-methyl-
CAS Number:
1255939-60-6
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
IUPAC Name:
4-chloro-5-methylpyrrolo[3,2-d]pyrimidine-7-carbaldehyde
InChI:
InChI=1S/C8H6ClN3O/c1-12-2-5(3-13)6-7(12)8(9)11-4-10-6/h2-4H,1H3
InChI Key:
ARUMSGJVFWJPHW-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1c(Cl)ncn2)C=O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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