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192380-96-4 | Phosphonic acid, (4-bromophenyl)-, bis(1-methylethyl) ester (9CI)
CAS No: 192380-96-4 Catalog No: AG002FVY MDL No:
Product Description
Catalog Number:
AG002FVY
Chemical Name:
Phosphonic acid, (4-bromophenyl)-, bis(1-methylethyl) ester (9CI)
CAS Number:
192380-96-4
Molecular Formula:
C12H18BrO3P
Molecular Weight:
321.1473
IUPAC Name:
1-bromo-4-di(propan-2-yloxy)phosphorylbenzene
InChI:
InChI=1S/C12H18BrO3P/c1-9(2)15-17(14,16-10(3)4)12-7-5-11(13)6-8-12/h5-10H,1-4H3
InChI Key:
ADJPRLAHNUXFGC-UHFFFAOYSA-N
SMILES:
CC(OP(=O)(c1ccc(cc1)Br)OC(C)C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.151g/mol
Monoisotopic Mass:
320.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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