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89084-77-5 | 1,2,3-Benzenetriol, 4-bromo-6-nitro-
CAS No: 89084-77-5 Catalog No: AG0040LB MDL No:
Product Description
Catalog Number:
AG0040LB
Chemical Name:
1,2,3-Benzenetriol, 4-bromo-6-nitro-
CAS Number:
89084-77-5
Molecular Formula:
C6H4BrNO5
Molecular Weight:
250.0037
IUPAC Name:
4-bromo-6-nitrobenzene-1,2,3-triol
InChI:
InChI=1S/C6H4BrNO5/c7-2-1-3(8(12)13)5(10)6(11)4(2)9/h1,9-11H
InChI Key:
NYEYHGXIJSWRPO-UHFFFAOYSA-N
SMILES:
Brc1cc([N+](=O)[O-])c(c(c1O)O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.927g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.004g/mol
Monoisotopic Mass:
248.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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