Home Nitros 2-tert-butyl-5-nitrobenzoic acid

2-tert-butyl-5-nitrobenzoic acid

CAS No.:
14034-90-3
Catalog Number:
AG01E7LA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7LA
Chemical Name:
2-tert-butyl-5-nitrobenzoic acid
CAS Number:
14034-90-3
MDL Number:
MFCD09965934
IUPAC Name:
2-tert-butyl-5-nitrobenzoic acid
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)9-5-4-7(12(15)16)6-8(9)10(13)14/h4-6H,1-3H3,(H,13,14)
InChI Key:
VCLKPBOYESSDNR-UHFFFAOYSA-N
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties