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116393-46-5 | Glycine, N-[[4-(3-bromo-1-methylpropyl)phenyl]sulfonyl]-
CAS No: 116393-46-5 Catalog No: AG000CDH MDL No:
Product Description
Catalog Number:
AG000CDH
Chemical Name:
Glycine, N-[[4-(3-bromo-1-methylpropyl)phenyl]sulfonyl]-
CAS Number:
116393-46-5
Molecular Formula:
C12H16BrNO4S
Molecular Weight:
350.2287
IUPAC Name:
2-[[4-(4-bromobutan-2-yl)phenyl]sulfonylamino]acetic acid
InChI:
InChI=1S/C12H16BrNO4S/c1-9(6-7-13)10-2-4-11(5-3-10)19(17,18)14-8-12(15)16/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChI Key:
PAXANRVZGBDBKF-UHFFFAOYSA-N
SMILES:
BrCCC(c1ccc(cc1)S(=O)(=O)NCC(=O)O)C
Properties
Complexity:
385
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:
2
Isotope Atom Count:
0
Molecular Weight:
350.227g/mol
Monoisotopic Mass:
348.998g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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