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139102-34-4 | Benzoic acid, 4-bromo-2-methoxy-, methyl ester
CAS No: 139102-34-4 Catalog No: AG001A9I MDL No:MFCD06797867
Product Description
Catalog Number:
AG001A9I
Chemical Name:
Benzoic acid, 4-bromo-2-methoxy-, methyl ester
CAS Number:
139102-34-4
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD06797867
IUPAC Name:
methyl 4-bromo-2-methoxybenzoate
InChI:
InChI=1S/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChI Key:
WPGAGRPPDYAZAD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1OC)Br
EC Number:
604-108-4
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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