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1131614-31-7 | 4-Hexyl-3-iodobenzoic acid
CAS No: 1131614-31-7 Catalog No: AG00HCM1 MDL No:
Product Description
Catalog Number:
AG00HCM1
Chemical Name:
4-Hexyl-3-iodobenzoic acid
CAS Number:
1131614-31-7
IUPAC Name:
4-hexyl-3-iodobenzoic acid
InChI:
InChI=1S/C13H17IO2/c1-2-3-4-5-6-10-7-8-11(13(15)16)9-12(10)14/h7-9H,2-6H2,1H3,(H,15,16)
InChI Key:
BDZGKJOJQZXNHJ-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.181g/mol
Monoisotopic Mass:
332.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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