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Home > Nitro Compounds > 6623-66-1
6623-66-1 | 6-NITRO-3,4-BENZOCOUMARIN
CAS No: 6623-66-1 Catalog No: AG00FU5X MDL No:
Product Description
Catalog Number:
AG00FU5X
Chemical Name:
6-NITRO-3,4-BENZOCOUMARIN
CAS Number:
6623-66-1
IUPAC Name:
2-nitrobenzo[c]chromen-6-one
InChI:
InChI=1S/C13H7NO4/c15-13-10-4-2-1-3-9(10)11-7-8(14(16)17)5-6-12(11)18-13/h1-7H
InChI Key:
NSXRBWUONVTXSK-UHFFFAOYSA-N
NSC Number:
55543
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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