(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-nitrobenzoate
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(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-nitrobenzoate
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CAS No:
304694-14-2
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Formula:
C13H15N3O4
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Chemical Name:
(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-nitrobenzoate
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Synonyms:
MLS001011139;CHEMBL1604650;HMS2598B22;AKOS034451823;MCULE-9118084489;(azepan-2-ylidene)amino 3-nitrobenzoate;SMR000353079;SR-01000026339;SR-01000026339-1;Z56767983;304694-14-2
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CAS No:
(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-nitrobenzoate Basic Attributes
277.28 g/mol
277.10625597 g/mol
Computed Properties
Molecular Weight:277.28
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:277.10625597
Monoisotopic Mass:277.10625597
Topological Polar Surface Area:96.5
Heavy Atom Count:20
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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