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115919-92-1 | 1H-Imidazo[1,2-a]imidazole, 3-chloro-2-methyl-5,6-diphenyl-
CAS No: 115919-92-1 Catalog No: AG000H4J MDL No:
Product Description
Catalog Number:
AG000H4J
Chemical Name:
1H-Imidazo[1,2-a]imidazole, 3-chloro-2-methyl-5,6-diphenyl-
CAS Number:
115919-92-1
Molecular Formula:
C18H14ClN3
Molecular Weight:
307.7769
IUPAC Name:
3-chloro-2-methyl-5,6-diphenyl-1H-imidazo[1,2-a]imidazole
InChI:
InChI=1S/C18H14ClN3/c1-12-17(19)22-16(14-10-6-3-7-11-14)15(21-18(22)20-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,20,21)
InChI Key:
NCRLAKFSGFSAEC-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2n(c1Cl)c(c(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.781g/mol
Monoisotopic Mass:
307.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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