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5417-17-4 | 2-Chloro-3,4-dimethoxybenzaldehyde
CAS No: 5417-17-4 Catalog No: AG00339U MDL No:MFCD00084942
Product Description
Catalog Number:
AG00339U
Chemical Name:
2-Chloro-3,4-dimethoxybenzaldehyde
CAS Number:
5417-17-4
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD00084942
IUPAC Name:
2-chloro-3,4-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3
InChI Key:
SAWHDJTZESXNMM-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1Cl)C=O
EC Number:
226-515-2
NSC Number:
7375
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| (E)-1-(3-Methoxy-phen-yl)ethanone 4-nitro-phenyl-hydrazone. | Acta crystallographica. Section E, Structure reports online 20080701 |
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