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15949-14-1 | Acetic acid, 2-[[(2-amino-5-chlorophenyl)phenylmethyl]thio]-
CAS No: 15949-14-1 Catalog No: AG001R3Y MDL No:
Product Description
Catalog Number:
AG001R3Y
Chemical Name:
Acetic acid, 2-[[(2-amino-5-chlorophenyl)phenylmethyl]thio]-
CAS Number:
15949-14-1
Molecular Formula:
C15H14ClNO2S
Molecular Weight:
307.7952
IUPAC Name:
2-[(2-amino-5-chlorophenyl)-phenylmethyl]sulfanylacetic acid
InChI:
InChI=1S/C15H14ClNO2S/c16-11-6-7-13(17)12(8-11)15(20-9-14(18)19)10-4-2-1-3-5-10/h1-8,15H,9,17H2,(H,18,19)
InChI Key:
PZDKWSHFCNEBLZ-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.792g/mol
Monoisotopic Mass:
307.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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