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119034-15-0 | Hydrazinecarboxamide, 2-[(1-methyl-1H-pyrrol-2-yl)methylene]-N-phenyl-
CAS No: 119034-15-0 Catalog No: AG000I3E MDL No:
Product Description
Catalog Number:
AG000I3E
Chemical Name:
Hydrazinecarboxamide, 2-[(1-methyl-1H-pyrrol-2-yl)methylene]-N-phenyl-
CAS Number:
119034-15-0
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
1-[(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
InChI:
InChI=1S/C13H14N4O/c1-17-9-5-8-12(17)10-14-16-13(18)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,18)
InChI Key:
JVEMRXYMHBTPLT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NN=Cc1cccn1C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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