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ELLANOVALABS B2-0509

CAS No.:
1027247-69-3
Catalog Number:
AG01DTFB
Molecular Formula:
C8H10BrNS
Molecular Weight:
232.1407
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Product Description
Catalog Number:
AG01DTFB
Chemical Name:
ELLANOVALABS B2-0509
CAS Number:
1027247-69-3
Molecular Formula:
C8H10BrNS
Molecular Weight:
232.1407
MDL Number:
MFCD22035212
IUPAC Name:
2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
InChI:
InChI=1S/C8H10BrNS/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2
InChI Key:
NTZSXLNKZILSFZ-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)CCCCC2
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.972g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.139g/mol
Monoisotopic Mass:
230.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties