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89642-18-2 | 3-Bromo-4-chloro-5-nitrotoluene
CAS No: 89642-18-2 Catalog No: AG01EYSM MDL No:MFCD18089294
Product Description
Catalog Number:
AG01EYSM
Chemical Name:
3-Bromo-4-chloro-5-nitrotoluene
CAS Number:
89642-18-2
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD18089294
IUPAC Name:
1-bromo-2-chloro-5-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H5BrClNO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3
InChI Key:
AHQZTSMMQGYNOL-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)[N+](=O)[O-])Cl
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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