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1204296-18-3 | N1-(6-Bromobenzo[d]thiazol-2-yl)-N2,N2-diethylethane-1,2-diamine
CAS No: 1204296-18-3 Catalog No: AG01FMRB MDL No:MFCD16631826
Product Description
Catalog Number:
AG01FMRB
Chemical Name:
N1-(6-Bromobenzo[d]thiazol-2-yl)-N2,N2-diethylethane-1,2-diamine
CAS Number:
1204296-18-3
Molecular Formula:
C13H18BrN3S
Molecular Weight:
328.2711
MDL Number:
MFCD16631826
IUPAC Name:
N-(6-bromo-1,3-benzothiazol-2-yl)-N',N'-diethylethane-1,2-diamine
InChI:
InChI=1S/C13H18BrN3S/c1-3-17(4-2)8-7-15-13-16-11-6-5-10(14)9-12(11)18-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChI Key:
JJKAESNARKPMMN-UHFFFAOYSA-N
SMILES:
CCN(CCNc1nc2c(s1)cc(cc2)Br)CC
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.272g/mol
Monoisotopic Mass:
327.04g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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