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Home > Bromides > 1138220-77-5
1138220-77-5 | Benzoic acid, 2-bromo-4-chloro-5-methoxy-, methyl ester
CAS No: 1138220-77-5 Catalog No: AG0009SL MDL No:
Product Description
Catalog Number:
AG0009SL
Chemical Name:
Benzoic acid, 2-bromo-4-chloro-5-methoxy-, methyl ester
CAS Number:
1138220-77-5
Molecular Formula:
C9H8BrClO3
Molecular Weight:
279.5150
IUPAC Name:
methyl 2-bromo-4-chloro-5-methoxybenzoate
InChI:
InChI=1S/C9H8BrClO3/c1-13-8-3-5(9(12)14-2)6(10)4-7(8)11/h3-4H,1-2H3
InChI Key:
FPNILIIYCYTKFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1Br)Cl
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
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