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16730-20-4

16730-20-4 | 1H-Indole-2-carboxylic acid, 5-nitro-

CAS No: 16730-20-4 Catalog No: AG001XA8 MDL No:MFCD00236372

Product Description

Catalog Number:
AG001XA8
Chemical Name:
1H-Indole-2-carboxylic acid, 5-nitro-
CAS Number:
16730-20-4
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD00236372
IUPAC Name:
5-nitro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)
InChI Key:
LHFOJSCXLFKDIR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
NSC Number:
520595

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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