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2616-72-0 | 2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-(phosphonooxy)-
CAS No: 2616-72-0 Catalog No: AG002RXC MDL No:MFCD00042716
Product Description
Catalog Number:
AG002RXC
Chemical Name:
2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-(phosphonooxy)-
CAS Number:
2616-72-0
Molecular Formula:
C18H15ClNO5P
Molecular Weight:
391.7422
MDL Number:
MFCD00042716
IUPAC Name:
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
InChI:
InChI=1S/C18H15ClNO5P/c1-11-8-14(19)6-7-16(11)20-18(21)15-9-12-4-2-3-5-13(12)10-17(15)25-26(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
InChI Key:
SHTFMUPUBYXPCD-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
EC Number:
220-046-7
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
391.744g/mol
Monoisotopic Mass:
391.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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