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85943-75-5 | 5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde
CAS No: 85943-75-5 Catalog No: AG01EXUO MDL No:
Product Description
Catalog Number:
AG01EXUO
Chemical Name:
5-tert-Butyl-2-hydroxy-3-nitro-benzaldehyde
CAS Number:
85943-75-5
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
5-tert-butyl-2-hydroxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)8-4-7(6-13)10(14)9(5-8)12(15)16/h4-6,14H,1-3H3
InChI Key:
BZOUYFMRPKMAOP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
279
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:
3.1
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