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16839-13-7 | Phosphonic acid, P-(4-bromophenyl)-
CAS No: 16839-13-7 Catalog No: AG001Y1H MDL No:MFCD00159409
Product Description
Catalog Number:
AG001Y1H
Chemical Name:
Phosphonic acid, P-(4-bromophenyl)-
CAS Number:
16839-13-7
Molecular Formula:
C6H6BrO3P
Molecular Weight:
236.9878
MDL Number:
MFCD00159409
IUPAC Name:
(4-bromophenyl)phosphonic acid
InChI:
InChI=1S/C6H6BrO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChI Key:
XDGIQCFWQNHSMV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)P(=O)(O)O
NSC Number:
13558
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.924g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.989g/mol
Monoisotopic Mass:
235.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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