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3964-57-6 | Methyl 3-chloro-4-hydroxybenzoate
CAS No: 3964-57-6 Catalog No: AG003RRO MDL No:MFCD00016418
Product Description
Catalog Number:
AG003RRO
Chemical Name:
Methyl 3-chloro-4-hydroxybenzoate
CAS Number:
3964-57-6
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00016418
IUPAC Name:
methyl 3-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChI Key:
ZSBIMTDWIGWJPW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)O
EC Number:
223-573-0
NSC Number:
210795
Properties
Complexity:
172
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:
2.3
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