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79670-17-0 | Methyl 5-bromo-2-(bromomethyl)benzoate
CAS No: 79670-17-0 Catalog No: AG0036GC MDL No:MFCD11505949
Product Description
Catalog Number:
AG0036GC
Chemical Name:
Methyl 5-bromo-2-(bromomethyl)benzoate
CAS Number:
79670-17-0
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD11505949
IUPAC Name:
methyl 5-bromo-2-(bromomethyl)benzoate
InChI:
InChI=1S/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
InChI Key:
UVIJBFVFEGZZLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1CBr
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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