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108002-87-5 | 2-anilinopyrimidine-5-carbaldehyde
CAS No: 108002-87-5 Catalog No: AG008VHI MDL No:
Product Description
Catalog Number:
AG008VHI
Chemical Name:
2-anilinopyrimidine-5-carbaldehyde
CAS Number:
108002-87-5
IUPAC Name:
2-anilinopyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H9N3O/c15-8-9-6-12-11(13-7-9)14-10-4-2-1-3-5-10/h1-8H,(H,12,13,14)
InChI Key:
QNFHXIZSGIGYOU-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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