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16644-30-7 | Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-nitro-
CAS No: 16644-30-7 Catalog No: AG001WRE MDL No:MFCD00191331
Product Description
Catalog Number:
AG001WRE
Chemical Name:
Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-nitro-
CAS Number:
16644-30-7
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD00191331
IUPAC Name:
3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H6ClNO4/c9-3-5-1-7(10(13)14)2-6(4-11)8(5)12/h1-2,4,12H,3H2
InChI Key:
VPZKJFJWKLYFQD-UHFFFAOYSA-N
SMILES:
ClCc1cc(cc(c1O)C=O)[N+](=O)[O-]
NSC Number:
221280
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Stress sensing in polycaprolactone films via an embedded photochromic compound. | ACS applied materials & interfaces 20100623 |
| 2-{(E)-[1-(2-Hydroxy-ethyl)-3,3-dimethyl-3H-indol-1-ium-2-yl]vin-yl}-6-hydroxy-meth-yl-4-nitro-phenolate dihydrate. | Acta crystallographica. Section E, Structure reports online 20090801 |
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