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93904-64-4 | 3-CHLORO-4-HYDROXY-5-(ISOPROPYL)BENZALDEHYDE
CAS No: 93904-64-4 Catalog No: AG006BN4 MDL No:
Product Description
Catalog Number:
AG006BN4
Chemical Name:
3-CHLORO-4-HYDROXY-5-(ISOPROPYL)BENZALDEHYDE
CAS Number:
93904-64-4
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
3-chloro-4-hydroxy-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H11ClO2/c1-6(2)8-3-7(5-12)4-9(11)10(8)13/h3-6,13H,1-2H3
InChI Key:
MJPDRZNCPYMJSA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C(C)C)c(c(c1)Cl)O
EC Number:
299-803-9
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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