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Home > Aldehydes > 1879514-13-2
1879514-13-2 | 4-(azetidin-1-yl)-3-nitrobenzaldehyde
CAS No: 1879514-13-2 Catalog No: AG01C8SH MDL No:MFCD31443233
Product Description
Catalog Number:
AG01C8SH
Chemical Name:
4-(azetidin-1-yl)-3-nitrobenzaldehyde
CAS Number:
1879514-13-2
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD31443233
IUPAC Name:
4-(azetidin-1-yl)-3-nitrobenzaldehyde
InChI:
InChI=1S/C10H10N2O3/c13-7-8-2-3-9(11-4-1-5-11)10(6-8)12(14)15/h2-3,6-7H,1,4-5H2
InChI Key:
KGHAGJSRTCOLRO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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