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Home Nitros Benzoic acid, 3-nitro-4-(1-piperazinyl)-, methyl ester

Benzoic acid, 3-nitro-4-(1-piperazinyl)-, methyl ester

CAS No.:
192441-86-4
Catalog Number:
AG002FYK
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$142
- +
1g
97%
1 week
United States
$245
- +
Product Description
Catalog Number:
AG002FYK
Chemical Name:
Benzoic acid, 3-nitro-4-(1-piperazinyl)-, methyl ester
CAS Number:
192441-86-4
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
MDL Number:
MFCD01568499
IUPAC Name:
methyl 3-nitro-4-piperazin-1-ylbenzoate
InChI:
InChI=1S/C12H15N3O4/c1-19-12(16)9-2-3-10(11(8-9)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
YKSGLWWWNVWICU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties