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130019-48-6 | 2H-Tetrazole, 5-[4-(phenylmethoxy)phenyl]-
CAS No: 130019-48-6 Catalog No: AG000TX1 MDL No:
Product Description
Catalog Number:
AG000TX1
Chemical Name:
2H-Tetrazole, 5-[4-(phenylmethoxy)phenyl]-
CAS Number:
130019-48-6
Molecular Formula:
C14H12N4O
Molecular Weight:
252.2713
IUPAC Name:
5-(3-phenylmethoxyphenyl)-2H-tetrazole
InChI:
InChI=1S/C14H12N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2,(H,15,16,17,18)
InChI Key:
VWWINOIXMBLCEM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)c1n[nH]nn1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.277g/mol
Monoisotopic Mass:
252.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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