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54811-50-6 | 2-IODO-6-METHYLBENZOIC ACID
CAS No: 54811-50-6 Catalog No: AG00D8OP MDL No:MFCD01310823
Product Description
Catalog Number:
AG00D8OP
Chemical Name:
2-IODO-6-METHYLBENZOIC ACID
CAS Number:
54811-50-6
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0444
MDL Number:
MFCD01310823
IUPAC Name:
2-iodo-6-methylbenzoic acid
InChI:
InChI=1S/C8H7IO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
LLVYMVJLXNNRND-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cccc1I
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
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