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101252-66-8 | Benzenemethanol, 2-chloro-5-methoxy-
CAS No: 101252-66-8 Catalog No: AG00042G MDL No:MFCD12024393
Product Description
Catalog Number:
AG00042G
Chemical Name:
Benzenemethanol, 2-chloro-5-methoxy-
CAS Number:
101252-66-8
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
MDL Number:
MFCD12024393
IUPAC Name:
(2-chloro-5-methoxyphenyl)methanol
InChI:
InChI=1S/C8H9ClO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3
InChI Key:
CRJPVLAIROZFMX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CO)Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.608g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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