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76765-20-3 | ethyl 3-(3,3-dimethyl-1-triazenyl)-4-methylbenzoate
CAS No: 76765-20-3 Catalog No: AG005IC7 MDL No:
Product Description
Catalog Number:
AG005IC7
Chemical Name:
ethyl 3-(3,3-dimethyl-1-triazenyl)-4-methylbenzoate
CAS Number:
76765-20-3
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
ethyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
InChI:
InChI=1S/C12H17N3O2/c1-5-17-12(16)10-7-6-9(2)11(8-10)13-14-15(3)4/h6-8H,5H2,1-4H3
InChI Key:
KBMHHFCMMQOGQK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)N=NN(C)C)C
NSC Number:
651335
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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