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88369-05-5 | Carbamic acid, [2-(5-nitro-1H-indol-3-yl)ethyl]-, methyl ester
CAS No: 88369-05-5 Catalog No: AG004G18 MDL No:
Product Description
Catalog Number:
AG004G18
Chemical Name:
Carbamic acid, [2-(5-nitro-1H-indol-3-yl)ethyl]-, methyl ester
CAS Number:
88369-05-5
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
IUPAC Name:
methyl N-[2-(5-nitro-1H-indol-3-yl)ethyl]carbamate
InChI:
InChI=1S/C12H13N3O4/c1-19-12(16)13-5-4-8-7-14-11-3-2-9(15(17)18)6-10(8)11/h2-3,6-7,14H,4-5H2,1H3,(H,13,16)
InChI Key:
JTMIUKFXLVHVJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(CCNC(=O)OC)c[nH]c2cc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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