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114503-61-6 | Phosphorodichloridic acid, 3-methylbutyl ester
CAS No: 114503-61-6 Catalog No: AG000ELM MDL No:
Product Description
Catalog Number:
AG000ELM
Chemical Name:
Phosphorodichloridic acid, 3-methylbutyl ester
CAS Number:
114503-61-6
Molecular Formula:
C5H11Cl2O2P
Molecular Weight:
205.0194
IUPAC Name:
1-dichlorophosphoryloxy-3-methylbutane
InChI:
InChI=1S/C5H11Cl2O2P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3
InChI Key:
JGMPKFQLBXLFHC-UHFFFAOYSA-N
SMILES:
CC(CCOP(=O)(Cl)Cl)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.987g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.015g/mol
Monoisotopic Mass:
203.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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