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114-38-5 | Urea, N-(2-chlorophenyl)-
CAS No: 114-38-5 Catalog No: AG000A9F MDL No:MFCD00041316
Product Description
Catalog Number:
AG000A9F
Chemical Name:
Urea, N-(2-chlorophenyl)-
CAS Number:
114-38-5
Molecular Formula:
C7H7ClN2O
Molecular Weight:
170.5963
MDL Number:
MFCD00041316
IUPAC Name:
(2-chlorophenyl)urea
InChI:
InChI=1S/C7H7ClN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
ASPIQYFYSMQBHA-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccccc1Cl
NSC Number:
42111
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.596g/mol
Monoisotopic Mass:
170.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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