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14505-89-6 | Thiocyanic acid, 5-acetyl-2-aminophenyl ester
CAS No: 14505-89-6 Catalog No: AG001KI4 MDL No:MFCD20694373
Product Description
Catalog Number:
AG001KI4
Chemical Name:
Thiocyanic acid, 5-acetyl-2-aminophenyl ester
CAS Number:
14505-89-6
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD20694373
IUPAC Name:
(5-acetyl-2-aminophenyl) thiocyanate
InChI:
InChI=1S/C9H8N2OS/c1-6(12)7-2-3-8(11)9(4-7)13-5-10/h2-4H,11H2,1H3
InChI Key:
ZEEILPULDBVFMM-UHFFFAOYSA-N
SMILES:
N#CSc1cc(ccc1N)C(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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