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27684-84-0 | 5-Bromo-2-nitrophenol
CAS No: 27684-84-0 Catalog No: AG002UFZ MDL No:MFCD03095027
Product Description
Catalog Number:
AG002UFZ
Chemical Name:
5-Bromo-2-nitrophenol
CAS Number:
27684-84-0
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD03095027
IUPAC Name:
5-bromo-2-nitrophenol
InChI:
InChI=1S/C6H4BrNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChI Key:
DTWHNSNSUBKGTC-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)O)[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.006g/mol
Monoisotopic Mass:
216.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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