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Home > Imidazoles > 89781-94-2
89781-94-2 | 2H-1-Benzopyran-6-carboxamide, 3-(1H-imidazol-1-yl)-2-methyl-
CAS No: 89781-94-2 Catalog No: AG003YNM MDL No:
Product Description
Catalog Number:
AG003YNM
Chemical Name:
2H-1-Benzopyran-6-carboxamide, 3-(1H-imidazol-1-yl)-2-methyl-
CAS Number:
89781-94-2
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
3-imidazol-1-yl-2-methyl-2H-chromene-6-carboxamide
InChI:
InChI=1S/C14H13N3O2/c1-9-12(17-5-4-16-8-17)7-11-6-10(14(15)18)2-3-13(11)19-9/h2-9H,1H3,(H2,15,18)
InChI Key:
JMBWFSMHAIMZRJ-UHFFFAOYSA-N
SMILES:
CC1Oc2ccc(cc2C=C1n1cncc1)C(=O)N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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