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119033-98-6 | Hydrazinecarboxamide, N-(3-chlorophenyl)-2-(1H-pyrrol-2-ylmethylene)-
CAS No: 119033-98-6 Catalog No: AG000I3H MDL No:
Product Description
Catalog Number:
AG000I3H
Chemical Name:
Hydrazinecarboxamide, N-(3-chlorophenyl)-2-(1H-pyrrol-2-ylmethylene)-
CAS Number:
119033-98-6
Molecular Formula:
C12H11ClN4O
Molecular Weight:
262.6949
IUPAC Name:
1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea
InChI:
InChI=1S/C12H11ClN4O/c13-9-3-1-4-10(7-9)16-12(18)17-15-8-11-5-2-6-14-11/h1-8,14H,(H2,16,17,18)
InChI Key:
FVBKWVPOKGRVAO-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)NN=Cc1ccc[nH]1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.697g/mol
Monoisotopic Mass:
262.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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