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7402-50-8 | methyl[(4-aminobenzyl)sulfonyl]acetate
CAS No: 7402-50-8 Catalog No: AG005I7V MDL No:
Product Description
Catalog Number:
AG005I7V
Chemical Name:
methyl[(4-aminobenzyl)sulfonyl]acetate
CAS Number:
7402-50-8
Molecular Formula:
C10H12NO4S-
Molecular Weight:
242.2716
IUPAC Name:
methyl 2-[(4-aminophenyl)methylsulfonyl]acetate
InChI:
InChI=1S/C10H13NO4S/c1-15-10(12)7-16(13,14)6-8-2-4-9(11)5-3-8/h2-5H,6-7,11H2,1H3
InChI Key:
FXDKZACBHXYBCM-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)Cc1ccc(cc1)N)C(=O)[O-]
NSC Number:
55326
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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