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141181-77-3 | Phenol, bromodichloronitro- (9CI)
CAS No: 141181-77-3 Catalog No: AG001G0J MDL No:
Product Description
Catalog Number:
AG001G0J
Chemical Name:
Phenol, bromodichloronitro- (9CI)
CAS Number:
141181-77-3
Molecular Formula:
C6H2BrCl2NO3
Molecular Weight:
286.8950
IUPAC Name:
5-bromo-3,4-dichloro-2-nitrophenol
InChI:
InChI=1S/C6H2BrCl2NO3/c7-2-1-3(11)6(10(12)13)5(9)4(2)8/h1,11H
InChI Key:
KARQZFRGNYFAGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)cc(c(c1Cl)Cl)Br
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.86g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.89g/mol
Monoisotopic Mass:
284.86g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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