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18740-20-0 | 2,4-diamino-6-chloropyrimidine-5-carbaldehyde
CAS No: 18740-20-0 Catalog No: AG0074VS MDL No:
Product Description
Catalog Number:
AG0074VS
Chemical Name:
2,4-diamino-6-chloropyrimidine-5-carbaldehyde
CAS Number:
18740-20-0
Molecular Formula:
C5H5ClN4O
Molecular Weight:
172.5724
IUPAC Name:
2,4-diamino-6-chloropyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H5ClN4O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H4,7,8,9,10)
InChI Key:
FJRYLFSXNGBELH-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)nc(nc1Cl)N
NSC Number:
103519
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.572g/mol
Monoisotopic Mass:
172.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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