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1257834-30-2 | Benzenamine, 2-bromo-4-(1,1-dimethylethyl)-5-methoxy-
CAS No: 1257834-30-2 Catalog No: AG000OPN MDL No:
Product Description
Catalog Number:
AG000OPN
Chemical Name:
Benzenamine, 2-bromo-4-(1,1-dimethylethyl)-5-methoxy-
CAS Number:
1257834-30-2
Molecular Formula:
C11H16BrNO
Molecular Weight:
258.1548
IUPAC Name:
2-bromo-4-tert-butyl-5-methoxyaniline
InChI:
InChI=1S/C11H16BrNO/c1-11(2,3)7-5-8(12)9(13)6-10(7)14-4/h5-6H,13H2,1-4H3
InChI Key:
SZMJKRPKCOTAHV-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(C)(C)C)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.159g/mol
Monoisotopic Mass:
257.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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