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1314406-48-8 | 2H-Tetrazole-2-acetic acid, 5-[3-(1-naphthalenyloxy)phenyl]-, methyl ester
CAS No: 1314406-48-8 Catalog No: AG000W75 MDL No:MFCD19442775
Product Description
Catalog Number:
AG000W75
Chemical Name:
2H-Tetrazole-2-acetic acid, 5-[3-(1-naphthalenyloxy)phenyl]-, methyl ester
CAS Number:
1314406-48-8
Molecular Formula:
C20H16N4O3
Molecular Weight:
360.3660
MDL Number:
MFCD19442775
IUPAC Name:
methyl 2-[5-(3-naphthalen-1-yloxyphenyl)tetrazol-2-yl]acetate
InChI:
InChI=1S/C20H16N4O3/c1-26-19(25)13-24-22-20(21-23-24)15-8-4-9-16(12-15)27-18-11-5-7-14-6-2-3-10-17(14)18/h2-12H,13H2,1H3
InChI Key:
RNVHYBNJIWUDGE-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nnc(n1)c1cccc(c1)Oc1cccc2c1cccc2
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.373g/mol
Monoisotopic Mass:
360.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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