Home Halogens 2-(chloroMethyl)-5-phenyl-1,3,4-thiadiazole

2-(chloroMethyl)-5-phenyl-1,3,4-thiadiazole

CAS No.:
70390-94-2
Catalog Number:
AG00FGJ2
Molecular Formula:
C9H7ClN2S
Molecular Weight:
210.6833
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Product Description
Catalog Number:
AG00FGJ2
Chemical Name:
2-(chloroMethyl)-5-phenyl-1,3,4-thiadiazole
CAS Number:
70390-94-2
Molecular Formula:
C9H7ClN2S
Molecular Weight:
210.6833
MDL Number:
MFCD18250347
IUPAC Name:
2-(chloromethyl)-5-phenyl-1,3,4-thiadiazole
InChI:
InChI=1S/C9H7ClN2S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
ZCKLQRJGNGUAER-UHFFFAOYSA-N
SMILES:
ClCc1nnc(s1)c1ccccc1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.002g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.679g/mol
Monoisotopic Mass:
210.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties