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832733-81-0 | 10H-Phenoxazine, 10-butyl-3-chloro-7-nitro-
CAS No: 832733-81-0 Catalog No: AG004XVR MDL No:
Product Description
Catalog Number:
AG004XVR
Chemical Name:
10H-Phenoxazine, 10-butyl-3-chloro-7-nitro-
CAS Number:
832733-81-0
Molecular Formula:
C16H15ClN2O3
Molecular Weight:
318.7549
IUPAC Name:
10-butyl-3-chloro-7-nitrophenoxazine
InChI:
InChI=1S/C16H15ClN2O3/c1-2-3-8-18-13-6-4-11(17)9-15(13)22-16-10-12(19(20)21)5-7-14(16)18/h4-7,9-10H,2-3,8H2,1H3
InChI Key:
HSABOVRAJKMFEV-UHFFFAOYSA-N
SMILES:
CCCCN1c2ccc(cc2Oc2c1ccc(c2)Cl)[N+](=O)[O-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.757g/mol
Monoisotopic Mass:
318.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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