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157645-54-0 | Thiocyanic acid, 4-bromo-2-nitrophenyl ester
CAS No: 157645-54-0 Catalog No: AG001PKY MDL No:MFCD12546511
Product Description
Catalog Number:
AG001PKY
Chemical Name:
Thiocyanic acid, 4-bromo-2-nitrophenyl ester
CAS Number:
157645-54-0
Molecular Formula:
C7H3BrN2O2S
Molecular Weight:
259.0799
MDL Number:
MFCD12546511
IUPAC Name:
(4-bromo-2-nitrophenyl) thiocyanate
InChI:
InChI=1S/C7H3BrN2O2S/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H
InChI Key:
XGXZHZFRPAQKCH-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1[N+](=O)[O-])Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.077g/mol
Monoisotopic Mass:
257.91g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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