Home Carboxys 1H-Indole-2-carboxylicacid, 5-nitro-3-phenyl-

1H-Indole-2-carboxylicacid, 5-nitro-3-phenyl-

CAS No.:
14182-37-7
Catalog Number:
AG006WXE
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
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Product Description
Catalog Number:
AG006WXE
Chemical Name:
1H-Indole-2-carboxylicacid, 5-nitro-3-phenyl-
CAS Number:
14182-37-7
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD00054540
IUPAC Name:
5-nitro-3-phenyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C15H10N2O4/c18-15(19)14-13(9-4-2-1-3-5-9)11-8-10(17(20)21)6-7-12(11)16-14/h1-8,16H,(H,18,19)
InChI Key:
BMZNTPXQZKYUKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
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
Properties