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89525-45-1 | Benzenamine, N-[(2-bromo-4,5-dimethoxyphenyl)methylene]-
CAS No: 89525-45-1 Catalog No: AG0040QD MDL No:
Product Description
Catalog Number:
AG0040QD
Chemical Name:
Benzenamine, N-[(2-bromo-4,5-dimethoxyphenyl)methylene]-
CAS Number:
89525-45-1
Molecular Formula:
C15H14BrNO2
Molecular Weight:
320.1812
IUPAC Name:
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
InChI:
InChI=1S/C15H14BrNO2/c1-18-14-8-11(13(16)9-15(14)19-2)10-17-12-6-4-3-5-7-12/h3-10H,1-2H3
InChI Key:
CDXQOERZWIVXOC-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2ccccc2)c(cc1OC)Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.186g/mol
Monoisotopic Mass:
319.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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