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88465-33-2 | Benzaldehyde, 2-chloro-4-(dimethylamino)-5-nitro-
CAS No: 88465-33-2 Catalog No: AG004C8W MDL No:
Product Description
Catalog Number:
AG004C8W
Chemical Name:
Benzaldehyde, 2-chloro-4-(dimethylamino)-5-nitro-
CAS Number:
88465-33-2
Molecular Formula:
C9H9ClN2O3
Molecular Weight:
228.6324
IUPAC Name:
2-chloro-4-(dimethylamino)-5-nitrobenzaldehyde
InChI:
InChI=1S/C9H9ClN2O3/c1-11(2)8-4-7(10)6(5-13)3-9(8)12(14)15/h3-5H,1-2H3
InChI Key:
KQMYMOVULSFXCT-UHFFFAOYSA-N
SMILES:
O=Cc1cc([N+](=O)[O-])c(cc1Cl)N(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.632g/mol
Monoisotopic Mass:
228.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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