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Home > Nitro Compounds > 870703-72-3
870703-72-3 | 4-(BOC-PIPERAZIN-1-YL)-3-NITROBENZOIC A&
CAS No: 870703-72-3 Catalog No: AG00GYMH MDL No:
Product Description
Catalog Number:
AG00GYMH
Chemical Name:
4-(BOC-PIPERAZIN-1-YL)-3-NITROBENZOIC A&
CAS Number:
870703-72-3
IUPAC Name:
4-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitrobenzoic acid
InChI:
InChI=1S/C16H21N3O6/c1-16(2,3)25-15(22)13-9-17-6-7-18(13)11-5-4-10(14(20)21)8-12(11)19(23)24/h4-5,8,13,17H,6-7,9H2,1-3H3,(H,20,21)
InChI Key:
JWOGAFLLVAZSCJ-UHFFFAOYSA-N
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.359g/mol
Monoisotopic Mass:
351.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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