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Home > Nitro Compounds > 77529-66-9
77529-66-9 | 10H-Phenothiazine, 1,3,7-trinitro-, 5-oxide
CAS No: 77529-66-9 Catalog No: AG00595C MDL No:
Product Description
Catalog Number:
AG00595C
Chemical Name:
10H-Phenothiazine, 1,3,7-trinitro-, 5-oxide
CAS Number:
77529-66-9
Molecular Formula:
C12H6N4O7S
Molecular Weight:
350.2636
IUPAC Name:
1,3,7-trinitro-10H-phenothiazine 5-oxide
InChI:
InChI=1S/C12H6N4O7S/c17-14(18)6-1-2-8-10(4-6)24(23)11-5-7(15(19)20)3-9(16(21)22)12(11)13-8/h1-5,13H
InChI Key:
AATMOCYDUWASCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)S(=O)c1c(N2)c(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.996g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.261g/mol
Monoisotopic Mass:
349.996g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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