200,000+ products from a single source!
sales@angenechem.com
100332-33-0 | 9H-Thioxanthen-9-one, 1-chloro-7-hydroxy-4-nitro-
CAS No: 100332-33-0 Catalog No: AG0001N4 MDL No:
Product Description
Catalog Number:
AG0001N4
Chemical Name:
9H-Thioxanthen-9-one, 1-chloro-7-hydroxy-4-nitro-
CAS Number:
100332-33-0
Molecular Formula:
C13H6ClNO4S
Molecular Weight:
307.7090
IUPAC Name:
1-chloro-7-hydroxy-4-nitrothioxanthen-9-one
InChI:
InChI=1S/C13H6ClNO4S/c14-8-2-3-9(15(18)19)13-11(8)12(17)7-5-6(16)1-4-10(7)20-13/h1-5,16H
InChI Key:
UNDBGTYRNOUMHI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)c1c(s2)c(ccc1Cl)[N+](=O)[O-]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.971g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.704g/mol
Monoisotopic Mass:
306.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.