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Home > Aldehydes > 1256162-94-3
1256162-94-3 | Pyrazolo[1,5-a]pyrimidine-3-carboxaldehyde, 5-chloro-
CAS No: 1256162-94-3 Catalog No: AG000NYO MDL No:MFCD22551530
Product Description
Catalog Number:
AG000NYO
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxaldehyde, 5-chloro-
CAS Number:
1256162-94-3
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
MDL Number:
MFCD22551530
IUPAC Name:
5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C7H4ClN3O/c8-6-1-2-11-7(10-6)5(4-12)3-9-11/h1-4H
InChI Key:
NYWPUMGVBDABLA-UHFFFAOYSA-N
SMILES:
O=Cc1cnn2c1nc(Cl)cc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.579g/mol
Monoisotopic Mass:
181.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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