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26180-30-3 | Benzoic acid, 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)-
CAS No: 26180-30-3 Catalog No: AG002S3T MDL No:
Product Description
Catalog Number:
AG002S3T
Chemical Name:
Benzoic acid, 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)-
CAS Number:
26180-30-3
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
4-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C18H15NO2/c1-13-7-12-17(14-5-3-2-4-6-14)19(13)16-10-8-15(9-11-16)18(20)21/h2-12H,1H3,(H,20,21)
InChI Key:
HBCZMEBBIJRTOC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1c(C)ccc1c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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