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683274-75-1 | 2-Bromo-1-(5-chloro-2-methoxy-4-methyl-3-nitro phenyl)ethanone
CAS No: 683274-75-1 Catalog No: AG01EWY3 MDL No:MFCD03425158
Product Description
Catalog Number:
AG01EWY3
Chemical Name:
2-Bromo-1-(5-chloro-2-methoxy-4-methyl-3-nitro phenyl)ethanone
CAS Number:
683274-75-1
Molecular Formula:
C10H9BrClNO4
Molecular Weight:
322.5398
MDL Number:
MFCD03425158
IUPAC Name:
2-bromo-1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone
InChI:
InChI=1S/C10H9BrClNO4/c1-5-7(12)3-6(8(14)4-11)10(17-2)9(5)13(15)16/h3H,4H2,1-2H3
InChI Key:
MRJQMHKVHNQGJR-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(Cl)c(c(c1OC)[N+](=O)[O-])C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.94g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.539g/mol
Monoisotopic Mass:
320.94g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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