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15969-10-5 | Phenol, 2-bromo-4-chloro-6-nitro-
CAS No: 15969-10-5 Catalog No: AG001RBL MDL No:MFCD00024243
Product Description
Catalog Number:
AG001RBL
Chemical Name:
Phenol, 2-bromo-4-chloro-6-nitro-
CAS Number:
15969-10-5
Molecular Formula:
C6H3BrClNO3
Molecular Weight:
252.4499
MDL Number:
MFCD00024243
IUPAC Name:
2-bromo-4-chloro-6-nitrophenol
InChI:
InChI=1S/C6H3BrClNO3/c7-4-1-3(8)2-5(6(4)10)9(11)12/h1-2,10H
InChI Key:
POBOBTAMSJHELX-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1)[N+](=O)[O-])O
NSC Number:
157428
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:
4.1
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