200,000+ products from a single source!
sales@angenechem.com
52107-87-6 | 4-IODO-3-METHYLBENZOIC ACID
CAS No: 52107-87-6 Catalog No: AG00D8QL MDL No:MFCD00270113
Product Description
Catalog Number:
AG00D8QL
Chemical Name:
4-IODO-3-METHYLBENZOIC ACID
CAS Number:
52107-87-6
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0444
MDL Number:
MFCD00270113
IUPAC Name:
4-iodo-3-methylbenzoic acid
InChI:
InChI=1S/C8H7IO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key:
DKMIWBBIVNNAMG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)I
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.