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3535-88-4 | 5-(tert-Butyl)-2-methoxyaniline
CAS No: 3535-88-4 Catalog No: AG003MYR MDL No:MFCD00026299
Product Description
Catalog Number:
AG003MYR
Chemical Name:
5-(tert-Butyl)-2-methoxyaniline
CAS Number:
3535-88-4
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD00026299
IUPAC Name:
5-tert-butyl-2-methoxyaniline
InChI:
InChI=1S/C11H17NO/c1-11(2,3)8-5-6-10(13-4)9(12)7-8/h5-7H,12H2,1-4H3
InChI Key:
DLTLFDQLMFMTRQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)C(C)(C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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