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116632-23-6 | Phenol, 3-bromo-5-nitro-
CAS No: 116632-23-6 Catalog No: AG000CXB MDL No:MFCD09965960
Product Description
Catalog Number:
AG000CXB
Chemical Name:
Phenol, 3-bromo-5-nitro-
CAS Number:
116632-23-6
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD09965960
IUPAC Name:
3-bromo-5-nitrophenol
InChI:
InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
InChI Key:
VJQGLUHOAIZTNK-UHFFFAOYSA-N
SMILES:
Oc1cc(Br)cc(c1)[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:
3.2
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