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219817-43-3 | 1-Bromo-3-chloro-5-nitrobenzene
CAS No: 219817-43-3 Catalog No: AG003E42 MDL No:MFCD08275708
Product Description
Catalog Number:
AG003E42
Chemical Name:
1-Bromo-3-chloro-5-nitrobenzene
CAS Number:
219817-43-3
Molecular Formula:
C6H3BrClNO2
Molecular Weight:
236.4505
MDL Number:
MFCD08275708
IUPAC Name:
1-bromo-3-chloro-5-nitrobenzene
InChI:
InChI=1S/C6H3BrClNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key:
CVXDZAQINLBEIC-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.904g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.449g/mol
Monoisotopic Mass:
234.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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