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88374-40-7 | 2-Thiazolamine, N-[1-(1-naphthalenyl)ethyl]-5-nitro-
CAS No: 88374-40-7 Catalog No: AG004FS1 MDL No:
Product Description
Catalog Number:
AG004FS1
Chemical Name:
2-Thiazolamine, N-[1-(1-naphthalenyl)ethyl]-5-nitro-
CAS Number:
88374-40-7
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
IUPAC Name:
N-(1-naphthalen-1-ylethyl)-5-nitro-1,3-thiazol-2-amine
InChI:
InChI=1S/C15H13N3O2S/c1-10(17-15-16-9-14(21-15)18(19)20)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H,16,17)
InChI Key:
ACJIDJFKXUEVOM-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1cccc2)Nc1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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