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81417-00-7 | N-(2-AMINOETHYL)-4-AZIDO-2-NITROBENZAMIDE MONOHYDROFLUORIDE
CAS No: 81417-00-7 Catalog No: AG005KM5 MDL No:
Product Description
Catalog Number:
AG005KM5
Chemical Name:
N-(2-AMINOETHYL)-4-AZIDO-2-NITROBENZAMIDE MONOHYDROFLUORIDE
CAS Number:
81417-00-7
Molecular Formula:
C9H11FN6O3
Molecular Weight:
270.2204
IUPAC Name:
N-(2-aminoethyl)-4-azido-2-nitrobenzamide;hydrofluoride
InChI:
InChI=1S/C9H10N6O3.FH/c10-3-4-12-9(16)7-2-1-6(13-14-11)5-8(7)15(17)18;/h1-2,5H,3-4,10H2,(H,12,16);1H
InChI Key:
HHTZRZBEFXSVOP-UHFFFAOYSA-N
SMILES:
NCCNC(=O)c1ccc(cc1[N+](=O)[O-])N=[N+]=[N-].F
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.224g/mol
Monoisotopic Mass:
270.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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