Home Halogens 4-bromo-3-chloro-2-methoxy-benzoic acid methyl ester

4-bromo-3-chloro-2-methoxy-benzoic acid methyl ester

CAS No.:
1427377-54-5
Catalog Number:
AG01DW1B
Molecular Formula:
C9H8BrClO3
Molecular Weight:
279.5150
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Product Description
Catalog Number:
AG01DW1B
Chemical Name:
4-bromo-3-chloro-2-methoxy-benzoic acid methyl ester
CAS Number:
1427377-54-5
Molecular Formula:
C9H8BrClO3
Molecular Weight:
279.5150
MDL Number:
MFCD23707524
IUPAC Name:
methyl 4-bromo-3-chloro-2-methoxybenzoate
InChI:
InChI=1S/C9H8BrClO3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,1-2H3
InChI Key:
INQFRQVYHFAPDJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1OC)Cl)Br
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.514g/mol
Monoisotopic Mass:
277.935g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties