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19128-49-5 | Benzene, 2-bromo-1-chloro-5-methyl-3-nitro-
CAS No: 19128-49-5 Catalog No: AG002F5M MDL No:MFCD15527223
Product Description
Catalog Number:
AG002F5M
Chemical Name:
Benzene, 2-bromo-1-chloro-5-methyl-3-nitro-
CAS Number:
19128-49-5
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD15527223
IUPAC Name:
2-bromo-1-chloro-5-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H5BrClNO2/c1-4-2-5(9)7(8)6(3-4)10(11)12/h2-3H,1H3
InChI Key:
FOKNPAQAGGMCBF-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.476g/mol
Monoisotopic Mass:
248.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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