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13908-67-3 | Urea, 1,1'-(4-methoxy-m-phenylene)bis[3-(2-chloroethyl)- (8CI)
CAS No: 13908-67-3 Catalog No: AG001A6W MDL No:
Product Description
Catalog Number:
AG001A6W
Chemical Name:
Urea, 1,1'-(4-methoxy-m-phenylene)bis[3-(2-chloroethyl)- (8CI)
CAS Number:
13908-67-3
Molecular Formula:
C13H18Cl2N4O3
Molecular Weight:
349.2130
IUPAC Name:
1-(2-chloroethyl)-3-[3-(2-chloroethylcarbamoylamino)-4-methoxyphenyl]urea
InChI:
InChI=1S/C13H18Cl2N4O3/c1-22-11-3-2-9(18-12(20)16-6-4-14)8-10(11)19-13(21)17-7-5-15/h2-3,8H,4-7H2,1H3,(H2,16,18,20)(H2,17,19,21)
InChI Key:
UBCSAFMVBJJBNE-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(c(c1)NC(=O)NCCCl)OC
NSC Number:
92168
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
349.212g/mol
Monoisotopic Mass:
348.076g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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