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79443-88-2 | Phosphonic acid, (4-bromo-3-chloro-2-butenyl)-, diethyl ester
CAS No: 79443-88-2 Catalog No: AG005K37 MDL No:
Product Description
Catalog Number:
AG005K37
Chemical Name:
Phosphonic acid, (4-bromo-3-chloro-2-butenyl)-, diethyl ester
CAS Number:
79443-88-2
Molecular Formula:
C8H15BrClO3P
Molecular Weight:
305.5337
IUPAC Name:
1-bromo-2-chloro-4-diethoxyphosphorylbut-2-ene
InChI:
InChI=1S/C8H15BrClO3P/c1-3-12-14(11,13-4-2)6-5-8(10)7-9/h5H,3-4,6-7H2,1-2H3
InChI Key:
NHKOKQZLGARBBR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC=C(CBr)Cl)OCC
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.963g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.533g/mol
Monoisotopic Mass:
303.963g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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