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22233-54-1 | 3-Chloro-5-nitrobenzaldehyde
CAS No: 22233-54-1 Catalog No: AG006Z6K MDL No:MFCD08236780
Product Description
Catalog Number:
AG006Z6K
Chemical Name:
3-Chloro-5-nitrobenzaldehyde
CAS Number:
22233-54-1
Molecular Formula:
C7H4ClNO3
Molecular Weight:
185.5646
MDL Number:
MFCD08236780
IUPAC Name:
3-chloro-5-nitrobenzaldehyde
InChI:
InChI=1S/C7H4ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
InChI Key:
KXGORBDLPVCCOJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)cc(c1)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.563g/mol
Monoisotopic Mass:
184.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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