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Home > Aldehydes > 164650-68-4
164650-68-4 | Benzaldehyde, 3-chloro-5-methoxy-
CAS No: 164650-68-4 Catalog No: AG001V0E MDL No:MFCD08234653
Product Description
Catalog Number:
AG001V0E
Chemical Name:
Benzaldehyde, 3-chloro-5-methoxy-
CAS Number:
164650-68-4
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD08234653
IUPAC Name:
3-chloro-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7ClO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3
InChI Key:
BMSBBELFYSUAOR-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1)Cl
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:
2.6
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