Home Halogens Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester

Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester

CAS No.:
127168-91-6
Catalog Number:
AG000WQ6
Molecular Formula:
C10H10Br2O2
Molecular Weight:
321.9932
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Product Description
Catalog Number:
AG000WQ6
Chemical Name:
Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester
CAS Number:
127168-91-6
Molecular Formula:
C10H10Br2O2
Molecular Weight:
321.9932
MDL Number:
MFCD18642874
IUPAC Name:
methyl 2,3-bis(bromomethyl)benzoate
InChI:
InChI=1S/C10H10Br2O2/c1-14-10(13)8-4-2-3-7(5-11)9(8)6-12/h2-4H,5-6H2,1H3
InChI Key:
AIZKAMIZWQQDNG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1CBr)CBr
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.903g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.996g/mol
Monoisotopic Mass:
319.905g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties