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Home > Nitro Compounds > 22371-68-2
22371-68-2 | 7-Nitro-3,4-benzocoumarin
CAS No: 22371-68-2 Catalog No: AG01EFWE MDL No:
Product Description
Catalog Number:
AG01EFWE
Chemical Name:
7-Nitro-3,4-benzocoumarin
CAS Number:
22371-68-2
IUPAC Name:
7-nitrobenzo[c]chromen-6-one
InChI:
InChI=1S/C13H7NO4/c15-13-12-9(5-3-6-10(12)14(16)17)8-4-1-2-7-11(8)18-13/h1-7H
InChI Key:
RRBHCIXYRBIXMK-UHFFFAOYSA-N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.202g/mol
Monoisotopic Mass:
241.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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