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Home > Nitro Compounds > 24464-31-1
24464-31-1 | Carbonothioic acid, O-(4-nitrophenyl) O-(phenylmethyl) ester
CAS No: 24464-31-1 Catalog No: AG002O82 MDL No:
Product Description
Catalog Number:
AG002O82
Chemical Name:
Carbonothioic acid, O-(4-nitrophenyl) O-(phenylmethyl) ester
CAS Number:
24464-31-1
Molecular Formula:
C14H11NO4S
Molecular Weight:
289.3064
IUPAC Name:
(4-nitrophenoxy)-phenylmethoxymethanethione
InChI:
InChI=1S/C14H11NO4S/c16-15(17)12-6-8-13(9-7-12)19-14(20)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
WXXKEUKFKZDHNF-UHFFFAOYSA-N
SMILES:
S=C(Oc1ccc(cc1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.305g/mol
Monoisotopic Mass:
289.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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