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156643-23-1 | Benzenemethanamine, N-(2-bromophenyl)-4-methoxy-
CAS No: 156643-23-1 Catalog No: AG001OV0 MDL No:
Product Description
Catalog Number:
AG001OV0
Chemical Name:
Benzenemethanamine, N-(2-bromophenyl)-4-methoxy-
CAS Number:
156643-23-1
Molecular Formula:
C14H14BrNO
Molecular Weight:
292.1711
IUPAC Name:
2-bromo-N-[(4-methoxyphenyl)methyl]aniline
InChI:
InChI=1S/C14H14BrNO/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3
InChI Key:
AOYYERKBQULAPK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1ccccc1Br
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.176g/mol
Monoisotopic Mass:
291.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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