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Home > Aldehydes > 284679-97-6
284679-97-6 | Benzaldehyde, 3-nitro-4-(1-pyrrolidinyl)-
CAS No: 284679-97-6 Catalog No: AG002VF1 MDL No:MFCD00455104
Product Description
Catalog Number:
AG002VF1
Chemical Name:
Benzaldehyde, 3-nitro-4-(1-pyrrolidinyl)-
CAS Number:
284679-97-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00455104
IUPAC Name:
3-nitro-4-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H12N2O3/c14-8-9-3-4-10(11(7-9)13(15)16)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChI Key:
AONHBESCCBXPAD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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