200,000+ products from a single source!
sales@angenechem.com
198220-36-9 | Benzoic acid, 2-iodo-3,5-dimethyl-
CAS No: 198220-36-9 Catalog No: AG002BDJ MDL No:MFCD00020219
Product Description
Catalog Number:
AG002BDJ
Chemical Name:
Benzoic acid, 2-iodo-3,5-dimethyl-
CAS Number:
198220-36-9
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD00020219
IUPAC Name:
2-iodo-3,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H9IO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
BIZQUVFMTMOTGY-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C(=O)O)I
NSC Number:
158054
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.