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Home > Nitro Compounds > 959246-47-0
959246-47-0 | 1-BOC-4-(3-(ETHOXYCARBONYLMETHYLCARBAMOYL)-4-NITROPHENYL)PIPERAZINE
CAS No: 959246-47-0 Catalog No: AG00H67R MDL No:
Product Description
Catalog Number:
AG00H67R
Chemical Name:
1-BOC-4-(3-(ETHOXYCARBONYLMETHYLCARBAMOYL)-4-NITROPHENYL)PIPERAZINE
CAS Number:
959246-47-0
Molecular Formula:
C20H28N4O7
Molecular Weight:
436.4589
IUPAC Name:
tert-butyl 4-[3-[(2-ethoxy-2-oxoethyl)carbamoyl]-4-nitrophenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C20H28N4O7/c1-5-30-17(25)13-21-18(26)15-12-14(6-7-16(15)24(28)29)22-8-10-23(11-9-22)19(27)31-20(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3,(H,21,26)
InChI Key:
UZGYJKMJMWQKIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNC(=O)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.196g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.465g/mol
Monoisotopic Mass:
436.196g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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