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82131-05-3 | 4-Iodobutyl Pivalate
CAS No: 82131-05-3 Catalog No: AG003LKU MDL No:MFCD11502135
Product Description
Catalog Number:
AG003LKU
Chemical Name:
4-Iodobutyl Pivalate
CAS Number:
82131-05-3
Molecular Formula:
C9H17IO2
Molecular Weight:
284.1346
MDL Number:
MFCD11502135
IUPAC Name:
4-iodobutyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C9H17IO2/c1-9(2,3)8(11)12-7-5-4-6-10/h4-7H2,1-3H3
InChI Key:
MGIGUULSKMFMTP-UHFFFAOYSA-N
SMILES:
ICCCCOC(=O)C(C)(C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.137g/mol
Monoisotopic Mass:
284.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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