Home Nitros 3-methyl-4-(2-nitrophenyl)butan-2-one

3-methyl-4-(2-nitrophenyl)butan-2-one

CAS No.:
1178221-04-9
Catalog Number:
AG01A3A5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG01A3A5
Chemical Name:
3-methyl-4-(2-nitrophenyl)butan-2-one
CAS Number:
1178221-04-9
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD12817397
IUPAC Name:
3-methyl-4-(2-nitrophenyl)butan-2-one
InChI:
InChI=1S/C11H13NO3/c1-8(9(2)13)7-10-5-3-4-6-11(10)12(14)15/h3-6,8H,7H2,1-2H3
InChI Key:
FYBUTKJHAJQBGJ-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties