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127164-51-6 | 4H-1,3,2-Benzodioxaphosphorin, 2-chloro-, 2-oxide
CAS No: 127164-51-6 Catalog No: AG000WP7 MDL No:
Product Description
Catalog Number:
AG000WP7
Chemical Name:
4H-1,3,2-Benzodioxaphosphorin, 2-chloro-, 2-oxide
CAS Number:
127164-51-6
Molecular Formula:
C7H6ClO3P
Molecular Weight:
204.5475
IUPAC Name:
2-chloro-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
InChI:
InChI=1S/C7H6ClO3P/c8-12(9)10-5-6-3-1-2-4-7(6)11-12/h1-4H,5H2
InChI Key:
VDBAMVKTDUCLPZ-UHFFFAOYSA-N
SMILES:
ClP1(=O)OCc2c(O1)cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.546g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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