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122194-69-8 | Benzoyl isothiocyanate, 2-methoxy-
CAS No: 122194-69-8 Catalog No: AG0016X9 MDL No:
Product Description
Catalog Number:
AG0016X9
Chemical Name:
Benzoyl isothiocyanate, 2-methoxy-
CAS Number:
122194-69-8
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
IUPAC Name:
2-methoxybenzoyl isothiocyanate
InChI:
InChI=1S/C9H7NO2S/c1-12-8-5-3-2-4-7(8)9(11)10-6-13/h2-5H,1H3
InChI Key:
HOQPANLRGFSQGC-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1ccccc1OC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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