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619-44-3 | Methyl 4-iodobenzoate
CAS No: 619-44-3 Catalog No: AG00342U MDL No:MFCD00016353
Product Description
Catalog Number:
AG00342U
Chemical Name:
Methyl 4-iodobenzoate
CAS Number:
619-44-3
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0445
MDL Number:
MFCD00016353
IUPAC Name:
methyl 4-iodobenzoate
InChI:
InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
DYUWQWMXZHDZOR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)I
EC Number:
210-597-1
NSC Number:
9393
Properties
Complexity:
139
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:
0
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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