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117121-42-3 | Urea, N'-[4-[(2-ethyl-2H-tetrazol-5-yl)oxy]phenyl]-N,N-dimethyl-
CAS No: 117121-42-3 Catalog No: AG000DS8 MDL No:
Product Description
Catalog Number:
AG000DS8
Chemical Name:
Urea, N'-[4-[(2-ethyl-2H-tetrazol-5-yl)oxy]phenyl]-N,N-dimethyl-
CAS Number:
117121-42-3
Molecular Formula:
C12H16N6O2
Molecular Weight:
276.2944
IUPAC Name:
3-[4-(2-ethyltetrazol-5-yl)oxyphenyl]-1,1-dimethylurea
InChI:
InChI=1S/C12H16N6O2/c1-4-18-15-11(14-16-18)20-10-7-5-9(6-8-10)13-12(19)17(2)3/h5-8H,4H2,1-3H3,(H,13,19)
InChI Key:
AXEVLZIQOWUWDC-UHFFFAOYSA-N
SMILES:
CCn1nnc(n1)Oc1ccc(cc1)NC(=O)N(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.3g/mol
Monoisotopic Mass:
276.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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