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1261915-41-6 | [1,1'-Biphenyl]-2-carboxylic acid, 3'-[(ethylamino)carbonyl]-
CAS No: 1261915-41-6 Catalog No: AG000S62 MDL No:MFCD18312682
Product Description
Catalog Number:
AG000S62
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3'-[(ethylamino)carbonyl]-
CAS Number:
1261915-41-6
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD18312682
IUPAC Name:
2-[3-(ethylcarbamoyl)phenyl]benzoic acid
InChI:
InChI=1S/C16H15NO3/c1-2-17-15(18)12-7-5-6-11(10-12)13-8-3-4-9-14(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChI Key:
JECHUEVGKNJDBE-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cccc(c1)c1ccccc1C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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