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88784-22-9 | Urea,N-[4-[bis(2-chloroethyl)amino]phenyl]-N'-(4-methoxyphenyl)-
CAS No: 88784-22-9 Catalog No: AG004B6F MDL No:
Product Description
Catalog Number:
AG004B6F
Chemical Name:
Urea,N-[4-[bis(2-chloroethyl)amino]phenyl]-N'-(4-methoxyphenyl)-
CAS Number:
88784-22-9
Molecular Formula:
C18H21Cl2N3O2
Molecular Weight:
382.2842
IUPAC Name:
1-[4-[bis(2-chloroethyl)amino]phenyl]-3-(4-methoxyphenyl)urea
InChI:
InChI=1S/C18H21Cl2N3O2/c1-25-17-8-4-15(5-9-17)22-18(24)21-14-2-6-16(7-3-14)23(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H2,21,22,24)
InChI Key:
QTORCINUTQCVOH-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)NC(=O)Nc1ccc(cc1)OC)CCCl
NSC Number:
59440
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.285g/mol
Monoisotopic Mass:
381.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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