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85125-87-7 | Urea, N-(aminoiminomethyl)-N'-(4-methoxy-2,6-dimethylphenyl)-
CAS No: 85125-87-7 Catalog No: AG004XBX MDL No:
Product Description
Catalog Number:
AG004XBX
Chemical Name:
Urea, N-(aminoiminomethyl)-N'-(4-methoxy-2,6-dimethylphenyl)-
CAS Number:
85125-87-7
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
IUPAC Name:
1-methanehydrazonoyl-3-(4-methoxy-2,6-dimethylphenyl)urea
InChI:
InChI=1S/C11H16N4O2/c1-7-4-9(17-3)5-8(2)10(7)15-11(16)13-6-14-12/h4-6H,12H2,1-3H3,(H2,13,14,15,16)
InChI Key:
HZJFDFXSHNDEES-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)NC(=O)NC=NN
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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