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Home > Nitro Compounds > 91901-41-6
91901-41-6 | ethyl 3-nitro-1-naphthoate
CAS No: 91901-41-6 Catalog No: AG00H52N MDL No:
Product Description
Catalog Number:
AG00H52N
Chemical Name:
ethyl 3-nitro-1-naphthoate
CAS Number:
91901-41-6
IUPAC Name:
ethyl 3-nitronaphthalene-1-carboxylate
InChI:
InChI=1S/C13H11NO4/c1-2-18-13(15)12-8-10(14(16)17)7-9-5-3-4-6-11(9)12/h3-8H,2H2,1H3
InChI Key:
KIYRVIZLFQWWMR-UHFFFAOYSA-N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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