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Home > Nitro Compounds > 7270-73-7
7270-73-7 | 3-Nitrobenzoic acid perhydroazepine, addykt
CAS No: 7270-73-7 Catalog No: AG00FTSG MDL No:
Product Description
Catalog Number:
AG00FTSG
Chemical Name:
3-Nitrobenzoic acid perhydroazepine, addykt
CAS Number:
7270-73-7
IUPAC Name:
azepane;3-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO4.C6H13N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-4-6-7-5-3-1/h1-4H,(H,9,10);7H,1-6H2
InChI Key:
LCIYFINKFGDAHD-UHFFFAOYSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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