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42498-37-3 | N-(1,1-Dimethylethyl)-3-iodobenzamide
CAS No: 42498-37-3 Catalog No: AG00D7B7 MDL No:MFCD00751499
Product Description
Catalog Number:
AG00D7B7
Chemical Name:
N-(1,1-Dimethylethyl)-3-iodobenzamide
CAS Number:
42498-37-3
Molecular Formula:
C11H14INO
Molecular Weight:
303.1394
MDL Number:
MFCD00751499
IUPAC Name:
N-tert-butyl-3-iodobenzamide
InChI:
InChI=1S/C11H14INO/c1-11(2,3)13-10(14)8-5-4-6-9(12)7-8/h4-7H,1-3H3,(H,13,14)
InChI Key:
ZMJJGZOPZYWWKQ-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)NC(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.143g/mol
Monoisotopic Mass:
303.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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