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88062-17-3 | Benzaldehyde, 2-chloro-3-hydroxy-6-nitro-4-(2-propenyl)-
CAS No: 88062-17-3 Catalog No: AG004FFY MDL No:
Product Description
Catalog Number:
AG004FFY
Chemical Name:
Benzaldehyde, 2-chloro-3-hydroxy-6-nitro-4-(2-propenyl)-
CAS Number:
88062-17-3
Molecular Formula:
C10H8ClNO4
Molecular Weight:
241.6278
IUPAC Name:
2-chloro-3-hydroxy-6-nitro-4-prop-2-enylbenzaldehyde
InChI:
InChI=1S/C10H8ClNO4/c1-2-3-6-4-8(12(15)16)7(5-13)9(11)10(6)14/h2,4-5,14H,1,3H2
InChI Key:
VEIAJUBGRTVBTI-UHFFFAOYSA-N
SMILES:
C=CCc1cc([N+](=O)[O-])c(c(c1O)Cl)C=O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.627g/mol
Monoisotopic Mass:
241.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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