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62564-91-4 | 5-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 62564-91-4 Catalog No: AG01DSRY MDL No:MFCD20691077
Product Description
Catalog Number:
AG01DSRY
Chemical Name:
5-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
62564-91-4
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD20691077
IUPAC Name:
5-amino-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c11-10-8(7-14)6-12-13(10)9-4-2-1-3-5-9/h1-7H,11H2
InChI Key:
MTPJWTSHVKOZNW-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1N)c1ccccc1
Properties
Complexity:
204
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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