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86695-08-1 | Phenol, 2-isothiocyanato-
CAS No: 86695-08-1 Catalog No: AG004TCE MDL No:
Product Description
Catalog Number:
AG004TCE
Chemical Name:
Phenol, 2-isothiocyanato-
CAS Number:
86695-08-1
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
IUPAC Name:
2-isothiocyanatophenol
InChI:
InChI=1S/C7H5NOS/c9-7-4-2-1-3-6(7)8-5-10/h1-4,9H
InChI Key:
BUFAYFTZUOIEBA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Nitric oxide of human colorectal adenocarcinoma cell lines promotes tumour cell invasion. | British journal of cancer 20020422 |
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