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127351-08-0 | Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-
CAS No: 127351-08-0 Catalog No: AG000WXT MDL No:
Product Description
Catalog Number:
AG000WXT
Chemical Name:
Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-
CAS Number:
127351-08-0
Molecular Formula:
C14H12BrNOS
Molecular Weight:
322.2202
IUPAC Name:
3-bromo-N-(4-methoxyphenyl)benzenecarbothioamide
InChI:
InChI=1S/C14H12BrNOS/c1-17-13-7-5-12(6-8-13)16-14(18)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,18)
InChI Key:
UPBXVJGOYZNEGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)c1cccc(c1)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.982g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.22g/mol
Monoisotopic Mass:
320.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Conformational polymorphism in N-(4'-methoxyphenyl)- 3-bromothiobenzamide. | Chemistry, an Asian journal 20070402 |
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