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13719-61-4 | Benzaldehyde, 2-chloro-5-methoxy-
CAS No: 13719-61-4 Catalog No: AG0012XB MDL No:MFCD11845925
Product Description
Catalog Number:
AG0012XB
Chemical Name:
Benzaldehyde, 2-chloro-5-methoxy-
CAS Number:
13719-61-4
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD11845925
IUPAC Name:
2-chloro-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7ClO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChI Key:
FPQKZTTXKWGJRN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C=O)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
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