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Home > Nitro Compounds > 2769-30-4
2769-30-4 | Thiocyanic acid, 2-nitrophenyl ester
CAS No: 2769-30-4 Catalog No: AG002UGV MDL No:
Product Description
Catalog Number:
AG002UGV
Chemical Name:
Thiocyanic acid, 2-nitrophenyl ester
CAS Number:
2769-30-4
Molecular Formula:
C7H4N2O2S
Molecular Weight:
180.1839
IUPAC Name:
(2-nitrophenyl) thiocyanate
InChI:
InChI=1S/C7H4N2O2S/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H
InChI Key:
BHFBHNGCLGLPJE-UHFFFAOYSA-N
SMILES:
N#CSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| [Anticancer effect of 5-fluorouracil combined with extract of Rosa roxburghii Tratt on human endometrial adenocarcinoma]. | Zhongguo Zhong xi yi jie he za zhi Zhongguo Zhongxiyi jiehe zazhi = Chinese journal of integrated traditional and Western medicine 20110801 |
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