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1314406-38-6 | 2H-Tetrazole-2-acetic acid, 5-[2-(2,4-dichlorophenoxy)phenyl]-, methyl ester
CAS No: 1314406-38-6 Catalog No: AG000W7E MDL No:MFCD19442772
Product Description
Catalog Number:
AG000W7E
Chemical Name:
2H-Tetrazole-2-acetic acid, 5-[2-(2,4-dichlorophenoxy)phenyl]-, methyl ester
CAS Number:
1314406-38-6
Molecular Formula:
C16H12Cl2N4O3
Molecular Weight:
379.1975
MDL Number:
MFCD19442772
IUPAC Name:
methyl 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-2-yl]acetate
InChI:
InChI=1S/C16H12Cl2N4O3/c1-24-15(23)9-22-20-16(19-21-22)11-4-2-3-5-13(11)25-14-7-6-10(17)8-12(14)18/h2-8H,9H2,1H3
InChI Key:
CDDMKRGWBLAAQH-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nnc(n1)c1ccccc1Oc1ccc(cc1Cl)Cl
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.029g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.197g/mol
Monoisotopic Mass:
378.029g/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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