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13726-16-4

13726-16-4 | Benzaldehyde, 4-chloro-3-methoxy-

CAS No: 13726-16-4 Catalog No: AG00130Q MDL No:MFCD07787490

Product Description

Catalog Number:
AG00130Q
Chemical Name:
Benzaldehyde, 4-chloro-3-methoxy-
CAS Number:
13726-16-4
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD07787490
IUPAC Name:
4-chloro-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3
InChI Key:
BZCOHGUBYSDFET-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1Cl

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Synthesis of 2-(4-chlorophenyl)-2-(4-chloro-3-thiophenol)-1,1-dichloroethene (3-SH-DDE) via Newman-Kwart rearrangement - a precursor for synthesis of radiolabeled and unlabeled alkylsulfonyl-DDEs. Chemosphere 20090801

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