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13114-90-4 | Urea, N-(2-bromophenyl)-
CAS No: 13114-90-4 Catalog No: AG000VM6 MDL No:MFCD00041315
Product Description
Catalog Number:
AG000VM6
Chemical Name:
Urea, N-(2-bromophenyl)-
CAS Number:
13114-90-4
Molecular Formula:
C7H7BrN2O
Molecular Weight:
215.0473
MDL Number:
MFCD00041315
IUPAC Name:
(2-bromophenyl)urea
InChI:
InChI=1S/C7H7BrN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
QXEDXIJDCOADGG-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccccc1Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.05g/mol
Monoisotopic Mass:
213.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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