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454225-95-7 | 2-{2-[(4-phenylphenyl)methylidene]hydrazin-1-yl}-1,3-benzoxazole
CAS No: 454225-95-7 Catalog No: AG01ANDC MDL No:
Product Description
Catalog Number:
AG01ANDC
Chemical Name:
2-{2-[(4-phenylphenyl)methylidene]hydrazin-1-yl}-1,3-benzoxazole
CAS Number:
454225-95-7
Molecular Formula:
C20H15N3O
Molecular Weight:
313.3526
IUPAC Name:
N-[(4-phenylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C20H15N3O/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-21-23-20-22-18-8-4-5-9-19(18)24-20/h1-14H,(H,22,23)
InChI Key:
MBAIITUQYYRRTC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)C=NNc1nc2c(o1)cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.36g/mol
Monoisotopic Mass:
313.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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