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17332-54-6 | Benzoic acid, 2-[[3-(1,1-dimethylethyl)phenyl]amino]-
CAS No: 17332-54-6 Catalog No: AG001YSR MDL No:MFCD08752310
Product Description
Catalog Number:
AG001YSR
Chemical Name:
Benzoic acid, 2-[[3-(1,1-dimethylethyl)phenyl]amino]-
CAS Number:
17332-54-6
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
MDL Number:
MFCD08752310
IUPAC Name:
2-(3-tert-butylanilino)benzoic acid
InChI:
InChI=1S/C17H19NO2/c1-17(2,3)12-7-6-8-13(11-12)18-15-10-5-4-9-14(15)16(19)20/h4-11,18H,1-3H3,(H,19,20)
InChI Key:
DYNQTSWLMWSBIY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1cccc(c1)C(C)(C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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