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Home > Bromides > 1000343-31-6
1000343-31-6 | Benzene, 5-bromo-2-(2-chloroethyl)-1,3-dinitro-
CAS No: 1000343-31-6 Catalog No: AG0000KN MDL No:
Product Description
Catalog Number:
AG0000KN
Chemical Name:
Benzene, 5-bromo-2-(2-chloroethyl)-1,3-dinitro-
CAS Number:
1000343-31-6
Molecular Formula:
C8H6BrClN2O4
Molecular Weight:
309.5012
IUPAC Name:
5-bromo-2-(2-chloroethyl)-1,3-dinitrobenzene
InChI:
InChI=1S/C8H6BrClN2O4/c9-5-3-7(11(13)14)6(1-2-10)8(4-5)12(15)16/h3-4H,1-2H2
InChI Key:
KQWRMUWTQIQJBB-UHFFFAOYSA-N
SMILES:
ClCCc1c(cc(cc1[N+](=O)[O-])Br)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.92g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.5g/mol
Monoisotopic Mass:
307.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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