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823804-67-7 | 1,3-Benzenediol, 5-[(1E)-2-(4-azidophenyl)ethenyl]-
CAS No: 823804-67-7 Catalog No: AG005CWH MDL No:
Product Description
Catalog Number:
AG005CWH
Chemical Name:
1,3-Benzenediol, 5-[(1E)-2-(4-azidophenyl)ethenyl]-
CAS Number:
823804-67-7
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
5-[2-(4-azidophenyl)ethenyl]benzene-1,3-diol
InChI:
InChI=1S/C14H11N3O2/c15-17-16-12-5-3-10(4-6-12)1-2-11-7-13(18)9-14(19)8-11/h1-9,18-19H
InChI Key:
UQBJVYHCNLJZQG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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