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39911-29-0 | 3-Nitro-4-(piperidin-1-yl)benzaldehyde
CAS No: 39911-29-0 Catalog No: AG003JSQ MDL No:MFCD00831780
Product Description
Catalog Number:
AG003JSQ
Chemical Name:
3-Nitro-4-(piperidin-1-yl)benzaldehyde
CAS Number:
39911-29-0
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD00831780
IUPAC Name:
3-nitro-4-piperidin-1-ylbenzaldehyde
InChI:
InChI=1S/C12H14N2O3/c15-9-10-4-5-11(12(8-10)14(16)17)13-6-2-1-3-7-13/h4-5,8-9H,1-3,6-7H2
InChI Key:
BNNMEAFYZHALEC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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