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89565-78-6 | Benzoic acid, 5-chloro-2-methoxy-4-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 89565-78-6 Catalog No: AG003Y3U MDL No:
Product Description
Catalog Number:
AG003Y3U
Chemical Name:
Benzoic acid, 5-chloro-2-methoxy-4-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
89565-78-6
Molecular Formula:
C16H14ClNO5
Molecular Weight:
335.7391
IUPAC Name:
5-chloro-2-methoxy-4-(phenylmethoxycarbonylamino)benzoic acid
InChI:
InChI=1S/C16H14ClNO5/c1-22-14-8-13(12(17)7-11(14)15(19)20)18-16(21)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChI Key:
PFYZWMQUFMFKHC-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)OCc2ccccc2)c(cc1C(=O)O)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.74g/mol
Monoisotopic Mass:
335.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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