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88012-50-4 | Urea, [2-[(3-chloro-4-methoxyphenyl)amino]ethyl]-
CAS No: 88012-50-4 Catalog No: AG004JUX MDL No:
Product Description
Catalog Number:
AG004JUX
Chemical Name:
Urea, [2-[(3-chloro-4-methoxyphenyl)amino]ethyl]-
CAS Number:
88012-50-4
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
IUPAC Name:
2-(3-chloro-4-methoxyanilino)ethylurea
InChI:
InChI=1S/C10H14ClN3O2/c1-16-9-3-2-7(6-8(9)11)13-4-5-14-10(12)15/h2-3,6,13H,4-5H2,1H3,(H3,12,14,15)
InChI Key:
ZIVULNFCXAGMAZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)NCCNC(=O)N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.691g/mol
Monoisotopic Mass:
243.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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