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88711-10-8 | Benzamide, 3-chloro-4,5-dihydroxy-N-(3-hydroxypropyl)-
CAS No: 88711-10-8 Catalog No: AG0045DL MDL No:
Product Description
Catalog Number:
AG0045DL
Chemical Name:
Benzamide, 3-chloro-4,5-dihydroxy-N-(3-hydroxypropyl)-
CAS Number:
88711-10-8
Molecular Formula:
C10H12ClNO4
Molecular Weight:
245.6596
IUPAC Name:
3-chloro-4,5-dihydroxy-N-(3-hydroxypropyl)benzamide
InChI:
InChI=1S/C10H12ClNO4/c11-7-4-6(5-8(14)9(7)15)10(16)12-2-1-3-13/h4-5,13-15H,1-3H2,(H,12,16)
InChI Key:
QXHHZCUTRNKLIP-UHFFFAOYSA-N
SMILES:
OCCCNC(=O)c1cc(O)c(c(c1)Cl)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.659g/mol
Monoisotopic Mass:
245.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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