Home Nitros 3-methyl-1-(4-nitrophenyl)butan-1-one

3-methyl-1-(4-nitrophenyl)butan-1-one

CAS No.:
866584-84-1
Catalog Number:
AG01C2PC
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG01C2PC
Chemical Name:
3-methyl-1-(4-nitrophenyl)butan-1-one
CAS Number:
866584-84-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD19316122
IUPAC Name:
3-methyl-1-(4-nitrophenyl)butan-1-one
InChI:
InChI=1S/C11H13NO3/c1-8(2)7-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3
InChI Key:
PKIHBNJZQHOZOQ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
237  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties