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127356-33-6 | Pyridine, 2-bromo-5-methoxy-6-(methylthio)-3-nitro-
CAS No: 127356-33-6 Catalog No: AG000WXP MDL No:
Product Description
Catalog Number:
AG000WXP
Chemical Name:
Pyridine, 2-bromo-5-methoxy-6-(methylthio)-3-nitro-
CAS Number:
127356-33-6
Molecular Formula:
C7H7BrN2O3S
Molecular Weight:
279.1111
IUPAC Name:
2-bromo-5-methoxy-6-methylsulfanyl-3-nitropyridine
InChI:
InChI=1S/C7H7BrN2O3S/c1-13-5-3-4(10(11)12)6(8)9-7(5)14-2/h3H,1-2H3
InChI Key:
ZBZDGZTVFVPMGS-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(nc1SC)Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.936g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.108g/mol
Monoisotopic Mass:
277.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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