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1263-11-2 | 9H-Fluoren-9-one, 4-bromo-2,5,7-trinitro-, compd. with 1-methylbenzo[c]phenanthrene (1:1)
CAS No: 1263-11-2 Catalog No: AG000SIN MDL No:
Product Description
Catalog Number:
AG000SIN
Chemical Name:
9H-Fluoren-9-one, 4-bromo-2,5,7-trinitro-, compd. with 1-methylbenzo[c]phenanthrene (1:1)
CAS Number:
1263-11-2
Molecular Formula:
C32H18BrN3O7
Molecular Weight:
636.4052
IUPAC Name:
4-bromo-2,5,7-trinitrofluoren-9-one;1-methylbenzo[c]phenanthrene
InChI:
InChI=1S/C19H14.C13H4BrN3O7/c1-13-5-4-7-15-11-12-16-10-9-14-6-2-3-8-17(14)19(16)18(13)15;14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24/h2-12H,1H3;1-4H
InChI Key:
ICNNOKGNGNHSKI-UHFFFAOYSA-N
SMILES:
Brc1cc(cc2c1c1c(cc(cc1C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cc1cccc2c1c1c(cc2)ccc2c1cccc2
NSC Number:
97617
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.033g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
636.414g/mol
Monoisotopic Mass:
635.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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