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18268-76-3 | Benzaldehyde, 2-chloro-4-hydroxy-5-methoxy-
CAS No: 18268-76-3 Catalog No: AG00241W MDL No:MFCD02379943
Product Description
Catalog Number:
AG00241W
Chemical Name:
Benzaldehyde, 2-chloro-4-hydroxy-5-methoxy-
CAS Number:
18268-76-3
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD02379943
IUPAC Name:
2-chloro-4-hydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7ClO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3
InChI Key:
ZOKLABLCKDZYOP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1O)Cl
NSC Number:
95796
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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