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6698-13-1 | 4-BROMO-1,3-BENZODIOXOLE
CAS No: 6698-13-1 Catalog No: AG00365A MDL No:MFCD02681890
Product Description
Catalog Number:
AG00365A
Chemical Name:
4-BROMO-1,3-BENZODIOXOLE
CAS Number:
6698-13-1
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
MDL Number:
MFCD02681890
IUPAC Name:
4-bromo-1,3-benzodioxole
InChI:
InChI=1S/C7H5BrO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2
InChI Key:
VZPMQHSDFWAZHP-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1OCO2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.019g/mol
Monoisotopic Mass:
199.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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