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139937-38-5 | Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-
CAS No: 139937-38-5 Catalog No: AG001BTZ MDL No:
Product Description
Catalog Number:
AG001BTZ
Chemical Name:
Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-
CAS Number:
139937-38-5
Molecular Formula:
C9H10BrNO4S
Molecular Weight:
308.1490
IUPAC Name:
2-[(4-bromo-2-methylphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C9H10BrNO4S/c1-6-4-7(10)2-3-8(6)16(14,15)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChI Key:
TWUIBHIUIGZMQV-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1ccc(cc1C)Br
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.146g/mol
Monoisotopic Mass:
306.951g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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