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100373-80-6 | Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide
CAS No: 100373-80-6 Catalog No: AG0001SW MDL No:MFCD02614451
Product Description
Catalog Number:
AG0001SW
Chemical Name:
Benzoic acid, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide
CAS Number:
100373-80-6
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD02614451
IUPAC Name:
2-(2,5-dimethylpyrrol-1-yl)benzohydrazide
InChI:
InChI=1S/C13H15N3O/c1-9-7-8-10(2)16(9)12-6-4-3-5-11(12)13(17)15-14/h3-8H,14H2,1-2H3,(H,15,17)
InChI Key:
DVFUCUFJPSVXLW-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccccc1n1c(C)ccc1C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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