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101397-51-7 | 1,3,2-Benzodioxaphosphol-2-amine, N-(4-chlorophenyl)-, 2-sulfide
CAS No: 101397-51-7 Catalog No: AG0004E4 MDL No:
Product Description
Catalog Number:
AG0004E4
Chemical Name:
1,3,2-Benzodioxaphosphol-2-amine, N-(4-chlorophenyl)-, 2-sulfide
CAS Number:
101397-51-7
Molecular Formula:
C12H9ClNO2PS
Molecular Weight:
297.6971
IUPAC Name:
N-(4-chlorophenyl)-2-sulfanylidene-1,3,2λ5-benzodioxaphosphol-2-amine
InChI:
InChI=1S/C12H9ClNO2PS/c13-9-5-7-10(8-6-9)14-17(18)15-11-3-1-2-4-12(11)16-17/h1-8H,(H,14,18)
InChI Key:
UUVBUYVRGUZLAD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NP1(=S)Oc2c(O1)cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.978g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.693g/mol
Monoisotopic Mass:
296.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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