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76765-24-7 | isobutyl 3-(3,3-dimethyl-1-triazenyl)-4-methylbenzoate
CAS No: 76765-24-7 Catalog No: AG005IC6 MDL No:
Product Description
Catalog Number:
AG005IC6
Chemical Name:
isobutyl 3-(3,3-dimethyl-1-triazenyl)-4-methylbenzoate
CAS Number:
76765-24-7
Molecular Formula:
C14H21N3O2
Molecular Weight:
263.3354
IUPAC Name:
2-methylpropyl 3-(dimethylaminodiazenyl)-4-methylbenzoate
InChI:
InChI=1S/C14H21N3O2/c1-10(2)9-19-14(18)12-7-6-11(3)13(8-12)15-16-17(4)5/h6-8,10H,9H2,1-5H3
InChI Key:
ZTXLGUQTRAMUDP-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccc(c(c1)N=NN(C)C)C)C
NSC Number:
651337
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.341g/mol
Monoisotopic Mass:
263.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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