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78726-50-8 | Benzenemethanol, 2-[(4-bromophenyl)azo]-5-(dimethylamino)-
CAS No: 78726-50-8 Catalog No: AG005JUW MDL No:
Product Description
Catalog Number:
AG005JUW
Chemical Name:
Benzenemethanol, 2-[(4-bromophenyl)azo]-5-(dimethylamino)-
CAS Number:
78726-50-8
Molecular Formula:
C15H16BrN3O
Molecular Weight:
334.2110
IUPAC Name:
[2-[(4-bromophenyl)diazenyl]-5-(dimethylamino)phenyl]methanol
InChI:
InChI=1S/C15H16BrN3O/c1-19(2)14-7-8-15(11(9-14)10-20)18-17-13-5-3-12(16)4-6-13/h3-9,20H,10H2,1-2H3
InChI Key:
PHLGFBOFEHQTJI-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1N=Nc1ccc(cc1)Br)N(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.217g/mol
Monoisotopic Mass:
333.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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