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Home > Bromides > 1949815-83-1
1949815-83-1 | Methyl 2-imino-3-(2-methoxy-2-oxoethyl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate hydrobromide
CAS No: 1949815-83-1 Catalog No: AG01FN02 MDL No:MFCD26940476
Product Description
Catalog Number:
AG01FN02
Chemical Name:
Methyl 2-imino-3-(2-methoxy-2-oxoethyl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate hydrobromide
CAS Number:
1949815-83-1
Molecular Formula:
C12H13BrN2O4S
Molecular Weight:
361.2116
MDL Number:
MFCD26940476
IUPAC Name:
methyl 2-imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate;hydrobromide
InChI:
InChI=1S/C12H12N2O4S.BrH/c1-17-10(15)6-14-8-4-3-7(11(16)18-2)5-9(8)19-12(14)13;/h3-5,13H,6H2,1-2H3;1H
InChI Key:
PKPOVWYFCMYHLP-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(=N)sc2c1ccc(c2)C(=O)OC.Br
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.21g/mol
Monoisotopic Mass:
359.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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