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2646-27-7 | Hydrazinecarboxamide, N-(4-bromophenyl)-2-phenyl-
CAS No: 2646-27-7 Catalog No: AG002TB6 MDL No:
Product Description
Catalog Number:
AG002TB6
Chemical Name:
Hydrazinecarboxamide, N-(4-bromophenyl)-2-phenyl-
CAS Number:
2646-27-7
Molecular Formula:
C13H12BrN3O
Molecular Weight:
306.1579
IUPAC Name:
1-anilino-3-(4-bromophenyl)urea
InChI:
InChI=1S/C13H12BrN3O/c14-10-6-8-11(9-7-10)15-13(18)17-16-12-4-2-1-3-5-12/h1-9,16H,(H2,15,17,18)
InChI Key:
LDDZOKMCAXEEDU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)NNc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.163g/mol
Monoisotopic Mass:
305.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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