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147461-17-4 | Phosphonic acid, P-(4-bromobutyl)-, bis(1-methylethyl) ester
CAS No: 147461-17-4 Catalog No: AG001EX9 MDL No:
Product Description
Catalog Number:
AG001EX9
Chemical Name:
Phosphonic acid, P-(4-bromobutyl)-, bis(1-methylethyl) ester
CAS Number:
147461-17-4
Molecular Formula:
C10H22BrO3P
Molecular Weight:
301.1576
IUPAC Name:
1-bromo-4-di(propan-2-yloxy)phosphorylbutane
InChI:
InChI=1S/C10H22BrO3P/c1-9(2)13-15(12,14-10(3)4)8-6-5-7-11/h9-10H,5-8H2,1-4H3
InChI Key:
OOGNOGVOEARYBK-UHFFFAOYSA-N
SMILES:
BrCCCCP(=O)(OC(C)C)OC(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.161g/mol
Monoisotopic Mass:
300.049g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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