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13208-62-3 | Urea, N-(4-bromophenyl)-N'-(phenylmethyl)-
CAS No: 13208-62-3 Catalog No: AG00106D MDL No:MFCD00017794
Product Description
Catalog Number:
AG00106D
Chemical Name:
Urea, N-(4-bromophenyl)-N'-(phenylmethyl)-
CAS Number:
13208-62-3
Molecular Formula:
C14H13BrN2O
Molecular Weight:
305.1698
MDL Number:
MFCD00017794
IUPAC Name:
1-benzyl-3-(4-bromophenyl)urea
InChI:
InChI=1S/C14H13BrN2O/c15-12-6-8-13(9-7-12)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17,18)
InChI Key:
BTYUPTJAFCJIHQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)NCc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.175g/mol
Monoisotopic Mass:
304.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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