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89001-60-5 | Benzoic acid, 2-(bromomethyl)-5-[(dimethylamino)sulfonyl]-, ethyl ester
CAS No: 89001-60-5 Catalog No: AG0045LF MDL No:
Product Description
Catalog Number:
AG0045LF
Chemical Name:
Benzoic acid, 2-(bromomethyl)-5-[(dimethylamino)sulfonyl]-, ethyl ester
CAS Number:
89001-60-5
Molecular Formula:
C12H16BrNO4S
Molecular Weight:
350.2287
IUPAC Name:
ethyl 2-(bromomethyl)-5-(dimethylsulfamoyl)benzoate
InChI:
InChI=1S/C12H16BrNO4S/c1-4-18-12(15)11-7-10(6-5-9(11)8-13)19(16,17)14(2)3/h5-7H,4,8H2,1-3H3
InChI Key:
WLQFAJPWEWOSTJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1CBr)S(=O)(=O)N(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.998g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.227g/mol
Monoisotopic Mass:
348.998g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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