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Home > Nitro Compounds > 890091-65-3
890091-65-3 | Benzoic acid,3-nitro-2-(1-pyrrolidinyl)-
CAS No: 890091-65-3 Catalog No: AG0044VB MDL No:MFCD06809636
Product Description
Catalog Number:
AG0044VB
Chemical Name:
Benzoic acid,3-nitro-2-(1-pyrrolidinyl)-
CAS Number:
890091-65-3
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD06809636
IUPAC Name:
3-nitro-2-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12N2O4/c14-11(15)8-4-3-5-9(13(16)17)10(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,14,15)
InChI Key:
TZXHPSXCEZFUID-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N1CCCC1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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