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1131588-20-9 | 3-Iodo-4-neopentylbenzoic acid
CAS No: 1131588-20-9 Catalog No: AG00HCJD MDL No:
Product Description
Catalog Number:
AG00HCJD
Chemical Name:
3-Iodo-4-neopentylbenzoic acid
CAS Number:
1131588-20-9
IUPAC Name:
4-(2,2-dimethylpropyl)-3-iodobenzoic acid
InChI:
InChI=1S/C12H15IO2/c1-12(2,3)7-9-5-4-8(11(14)15)6-10(9)13/h4-6H,7H2,1-3H3,(H,14,15)
InChI Key:
DZSQYSGNPHEEBZ-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.154g/mol
Monoisotopic Mass:
318.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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