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93834-52-7 | 1-Phthalazinecarboxaldehyde, 4-phenyl-
CAS No: 93834-52-7 Catalog No: AG00601L MDL No:
Product Description
Catalog Number:
AG00601L
Chemical Name:
1-Phthalazinecarboxaldehyde, 4-phenyl-
CAS Number:
93834-52-7
Molecular Formula:
C15H10N2O
Molecular Weight:
234.2527
IUPAC Name:
4-phenylphthalazine-1-carbaldehyde
InChI:
InChI=1S/C15H10N2O/c18-10-14-12-8-4-5-9-13(12)15(17-16-14)11-6-2-1-3-7-11/h1-10H
InChI Key:
PBBFQLARUBNGFT-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(c2c1cccc2)c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.258g/mol
Monoisotopic Mass:
234.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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