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88062-16-2 | Benzaldehyde, 2-chloro-3-hydroxy-6-nitro-4-(2-propenyloxy)-
CAS No: 88062-16-2 Catalog No: AG004FFZ MDL No:
Product Description
Catalog Number:
AG004FFZ
Chemical Name:
Benzaldehyde, 2-chloro-3-hydroxy-6-nitro-4-(2-propenyloxy)-
CAS Number:
88062-16-2
Molecular Formula:
C10H8ClNO5
Molecular Weight:
257.6272
IUPAC Name:
2-chloro-3-hydroxy-6-nitro-4-prop-2-enoxybenzaldehyde
InChI:
InChI=1S/C10H8ClNO5/c1-2-3-17-8-4-7(12(15)16)6(5-13)9(11)10(8)14/h2,4-5,14H,1,3H2
InChI Key:
VZKMWWMQKQAWFS-UHFFFAOYSA-N
SMILES:
C=CCOc1cc([N+](=O)[O-])c(c(c1O)Cl)C=O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.009g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.626g/mol
Monoisotopic Mass:
257.009g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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