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72239-31-7 | 2-Thiazolamine,N-[(4-bromophenyl)methyl]-4,5-dihydro-
CAS No: 72239-31-7 Catalog No: AG005J3P MDL No:
Product Description
Catalog Number:
AG005J3P
Chemical Name:
2-Thiazolamine,N-[(4-bromophenyl)methyl]-4,5-dihydro-
CAS Number:
72239-31-7
Molecular Formula:
C10H11BrN2S
Molecular Weight:
271.1767
IUPAC Name:
N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
InChI:
InChI=1S/C10H11BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChI Key:
WQZBFPFJYHBVHE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CNC1=NCCS1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.983g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.176g/mol
Monoisotopic Mass:
269.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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