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828254-49-5 | Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide
CAS No: 828254-49-5 Catalog No: AG00568Q MDL No:
Product Description
Catalog Number:
AG00568Q
Chemical Name:
Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide
CAS Number:
828254-49-5
Molecular Formula:
C14H11BrClN3S
Molecular Weight:
368.6792
IUPAC Name:
3-(1-benzylpyridin-1-ium-3-yl)-4-chloro-1,2,5-thiadiazole;bromide
InChI:
InChI=1S/C14H11ClN3S.BrH/c15-14-13(16-19-17-14)12-7-4-8-18(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2;1H/q+1;/p-1
InChI Key:
XOTNCVMJESIWLP-UHFFFAOYSA-M
SMILES:
Clc1nsnc1c1ccc[n+](c1)Cc1ccccc1.[Br-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.955g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.677g/mol
Monoisotopic Mass:
366.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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