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500728-37-0 | 3-Bromo-4-iodo-5-nitrotoluene
CAS No: 500728-37-0 Catalog No: AG01EW76 MDL No:MFCD18089296
Product Description
Catalog Number:
AG01EW76
Chemical Name:
3-Bromo-4-iodo-5-nitrotoluene
CAS Number:
500728-37-0
Molecular Formula:
C7H5BrINO2
Molecular Weight:
341.9286
MDL Number:
MFCD18089296
IUPAC Name:
1-bromo-2-iodo-5-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H5BrINO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3
InChI Key:
YCSGRZHNOVLPGF-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)[N+](=O)[O-])I
NSC Number:
159233
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.855g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.93g/mol
Monoisotopic Mass:
340.855g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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