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13991-69-0 | Urea, 1,1'-(4,4'-biphenylylene)bis[3-(2-chloroethyl)- (8CI)
CAS No: 13991-69-0 Catalog No: AG001BSS MDL No:
Product Description
Catalog Number:
AG001BSS
Chemical Name:
Urea, 1,1'-(4,4'-biphenylylene)bis[3-(2-chloroethyl)- (8CI)
CAS Number:
13991-69-0
IUPAC Name:
1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenyl]phenyl]urea
InChI:
InChI=1S/C18H20Cl2N4O2/c19-9-11-21-17(25)23-15-5-1-13(2-6-15)14-3-7-16(8-4-14)24-18(26)22-12-10-20/h1-8H,9-12H2,(H2,21,23,25)(H2,22,24,26)
InChI Key:
ASVIYSWARNVBBF-UHFFFAOYSA-N
NSC Number:
83108
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
395.284g/mol
Monoisotopic Mass:
394.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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