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651748-87-7 | Benzoic acid, 3-[2-oxo-3-[4-(1H-pyrrol-1-yl)phenyl]-1-imidazolidinyl]-
CAS No: 651748-87-7 Catalog No: AG00H7QZ MDL No:
Product Description
Catalog Number:
AG00H7QZ
Chemical Name:
Benzoic acid, 3-[2-oxo-3-[4-(1H-pyrrol-1-yl)phenyl]-1-imidazolidinyl]-
CAS Number:
651748-87-7
Molecular Formula:
C20H17N3O3
Molecular Weight:
347.3673
IUPAC Name:
3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]benzoic acid
InChI:
InChI=1S/C20H17N3O3/c24-19(25)15-4-3-5-18(14-15)23-13-12-22(20(23)26)17-8-6-16(7-9-17)21-10-1-2-11-21/h1-11,14H,12-13H2,(H,24,25)
InChI Key:
XOTRGXXVEMNQAE-UHFFFAOYSA-N
SMILES:
O=C1N(CCN1c1cccc(c1)C(=O)O)c1ccc(cc1)n1cccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.374g/mol
Monoisotopic Mass:
347.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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