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1707378-00-4 | 2-NITRO-4-(PYRROLIDIN-1-YL)BENZALDEHYDE
CAS No: 1707378-00-4 Catalog No: AG01DT2J MDL No:MFCD28013345
Product Description
Catalog Number:
AG01DT2J
Chemical Name:
2-NITRO-4-(PYRROLIDIN-1-YL)BENZALDEHYDE
CAS Number:
1707378-00-4
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD28013345
IUPAC Name:
2-nitro-4-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H12N2O3/c14-8-9-3-4-10(7-11(9)13(15)16)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChI Key:
IELJNRJZBIFVFW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[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
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