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Home > Nitro Compounds > 6683-81-4
6683-81-4 | 2-TERT-BUTYL-4-NITROPHENOL
CAS No: 6683-81-4 Catalog No: AG00FEHT MDL No:MFCD01463425
Product Description
Catalog Number:
AG00FEHT
Chemical Name:
2-TERT-BUTYL-4-NITROPHENOL
CAS Number:
6683-81-4
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD01463425
IUPAC Name:
2-tert-butyl-4-nitrophenol
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)8-6-7(11(13)14)4-5-9(8)12/h4-6,12H,1-3H3
InChI Key:
WPLSSAJHDAQNCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(C)(C)C)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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