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303148-80-3 | N'-[(1E)-1-[4-(1H-imidazol-1-yl)phenyl]ethylidene]methoxycarbohydrazide
CAS No: 303148-80-3 Catalog No: AG00IUSU MDL No:MFCD00792971
Product Description
Catalog Number:
AG00IUSU
Chemical Name:
N'-[(1E)-1-[4-(1H-imidazol-1-yl)phenyl]ethylidene]methoxycarbohydrazide
CAS Number:
303148-80-3
Molecular Formula:
C13H14N4O2
Molecular Weight:
258.2759
MDL Number:
MFCD00792971
IUPAC Name:
methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
InChI:
InChI=1S/C13H14N4O2/c1-10(15-16-13(18)19-2)11-3-5-12(6-4-11)17-8-7-14-9-17/h3-9H,1-2H3,(H,16,18)
InChI Key:
PMMXKYYFESLKBS-UHFFFAOYSA-N
SMILES:
COC(=O)N/N=C(/c1ccc(cc1)n1cncc1)\C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.281g/mol
Monoisotopic Mass:
258.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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