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Home > Nitro Compounds > 3279-07-0
3279-07-0 | 4-tert-Butyl-2-nitrophenol
CAS No: 3279-07-0 Catalog No: AG003M1H MDL No:MFCD00191888
Product Description
Catalog Number:
AG003M1H
Chemical Name:
4-tert-Butyl-2-nitrophenol
CAS Number:
3279-07-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD00191888
IUPAC Name:
4-tert-butyl-2-nitrophenol
InChI:
InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3
InChI Key:
IHGNADPMUSNTJW-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(ccc1O)C(C)(C)C
EC Number:
221-914-8
NSC Number:
36629
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:
3.7
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