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20294-55-7 | Phenol, 2-bromo-6-chloro-4-nitro-
CAS No: 20294-55-7 Catalog No: AG0028L6 MDL No:
Product Description
Catalog Number:
AG0028L6
Chemical Name:
Phenol, 2-bromo-6-chloro-4-nitro-
CAS Number:
20294-55-7
Molecular Formula:
C6H3BrClNO3
Molecular Weight:
252.4499
IUPAC Name:
2-bromo-6-chloro-4-nitrophenol
InChI:
InChI=1S/C6H3BrClNO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChI Key:
ZGYRWLMYHJIDOI-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1O)Br)[N+](=O)[O-]
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.898g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.448g/mol
Monoisotopic Mass:
250.898g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| New halogenated disinfection byproducts in swimming pool water and their permeability across skin. | Environmental science & technology 20120703 |
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