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92167-94-7 | 1,1-bis(2-chloroethyl)-3-(4-methoxyphenyl)urea
CAS No: 92167-94-7 Catalog No: AG006GQ7 MDL No:
Product Description
Catalog Number:
AG006GQ7
Chemical Name:
1,1-bis(2-chloroethyl)-3-(4-methoxyphenyl)urea
CAS Number:
92167-94-7
Molecular Formula:
C12H16Cl2N2O2
Molecular Weight:
291.1736
IUPAC Name:
1,1-bis(2-chloroethyl)-3-(4-methoxyphenyl)urea
InChI:
InChI=1S/C12H16Cl2N2O2/c1-18-11-4-2-10(3-5-11)15-12(17)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)
InChI Key:
BTHSVAKCUJULGD-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1ccc(cc1)OC)CCCl
NSC Number:
57687
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.172g/mol
Monoisotopic Mass:
290.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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