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124330-40-1 | Acetic acid, 2-[(3-nitro-9-acridinyl)thio]-
CAS No: 124330-40-1 Catalog No: AG000LVA MDL No:
Product Description
Catalog Number:
AG000LVA
Chemical Name:
Acetic acid, 2-[(3-nitro-9-acridinyl)thio]-
CAS Number:
124330-40-1
Molecular Formula:
C15H10N2O4S
Molecular Weight:
314.3159
IUPAC Name:
2-(3-nitroacridin-9-yl)sulfanylacetic acid
InChI:
InChI=1S/C15H10N2O4S/c18-14(19)8-22-15-10-3-1-2-4-12(10)16-13-7-9(17(20)21)5-6-11(13)15/h1-7H,8H2,(H,18,19)
InChI Key:
BCUFDJMHXJYIRU-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1c2ccc(cc2nc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.315g/mol
Monoisotopic Mass:
314.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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