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1167056-95-2

1167056-95-2 | 1H-Indole, 4-fluoro-7-nitro-

CAS No: 1167056-95-2 Catalog No: AG000D4D MDL No:MFCD12405104

Product Description

Catalog Number:
AG000D4D
Chemical Name:
1H-Indole, 4-fluoro-7-nitro-
CAS Number:
1167056-95-2
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD12405104
IUPAC Name:
4-fluoro-7-nitro-1H-indole
InChI:
InChI=1S/C8H5FN2O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-4,10H
InChI Key:
CWMVCUWWLTZDNF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1[nH]cc2)F

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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