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141451-74-3 | 1H-Indole-5-carboxylic acid, 1-[(3-nitrophenyl)methyl]-
CAS No: 141451-74-3 Catalog No: AG001GEJ MDL No:
Product Description
Catalog Number:
AG001GEJ
Chemical Name:
1H-Indole-5-carboxylic acid, 1-[(3-nitrophenyl)methyl]-
CAS Number:
141451-74-3
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
1-[(3-nitrophenyl)methyl]indole-5-carboxylic acid
InChI:
InChI=1S/C16H12N2O4/c19-16(20)13-4-5-15-12(9-13)6-7-17(15)10-11-2-1-3-14(8-11)18(21)22/h1-9H,10H2,(H,19,20)
InChI Key:
BWDDDNOOBDZFTJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Cn1ccc2c1ccc(c2)C(=O)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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