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13908-41-3 | Urea, N-(2-chloroethyl)-N'-(3-nitrophenyl)-
CAS No: 13908-41-3 Catalog No: AG001A61 MDL No:
Product Description
Catalog Number:
AG001A61
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(3-nitrophenyl)-
CAS Number:
13908-41-3
Molecular Formula:
C9H10ClN3O3
Molecular Weight:
243.6470
IUPAC Name:
1-(2-chloroethyl)-3-(3-nitrophenyl)urea
InChI:
InChI=1S/C9H10ClN3O3/c10-4-5-11-9(14)12-7-2-1-3-8(6-7)13(15)16/h1-3,6H,4-5H2,(H2,11,12,14)
InChI Key:
IZXPMGXAUUALNM-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
88109
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.647g/mol
Monoisotopic Mass:
243.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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