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1154320-39-4 | (isoquinolin-5-yl)urea
CAS No: 1154320-39-4 Catalog No: AG019XH9 MDL No:MFCD12065102
Product Description
Catalog Number:
AG019XH9
Chemical Name:
(isoquinolin-5-yl)urea
CAS Number:
1154320-39-4
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD12065102
IUPAC Name:
isoquinolin-5-ylurea
InChI:
InChI=1S/C10H9N3O/c11-10(14)13-9-3-1-2-7-6-12-5-4-8(7)9/h1-6H,(H3,11,13,14)
InChI Key:
VLTBIKSCTKKEOQ-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc2c1ccnc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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