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1305320-60-8 | 2H-Tetrazole-2-acetic acid, 5-(3-phenoxyphenyl)-, methyl ester
CAS No: 1305320-60-8 Catalog No: AG000UL7 MDL No:MFCD18911731
Product Description
Catalog Number:
AG000UL7
Chemical Name:
2H-Tetrazole-2-acetic acid, 5-(3-phenoxyphenyl)-, methyl ester
CAS Number:
1305320-60-8
Molecular Formula:
C16H14N4O3
Molecular Weight:
310.3074
MDL Number:
MFCD18911731
IUPAC Name:
methyl 2-[5-(3-phenoxyphenyl)tetrazol-2-yl]acetate
InChI:
InChI=1S/C16H14N4O3/c1-22-15(21)11-20-18-16(17-19-20)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI Key:
XZMPAOSYRVUFOE-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nnc(n1)c1cccc(c1)Oc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.313g/mol
Monoisotopic Mass:
310.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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