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101421-61-8 | 2-Bromo-5-methylbenzamide
CAS No: 101421-61-8 Catalog No: AG01FFHH MDL No:
Product Description
Catalog Number:
AG01FFHH
Chemical Name:
2-Bromo-5-methylbenzamide
CAS Number:
101421-61-8
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
IUPAC Name:
2-bromo-5-methylbenzamide
InChI:
InChI=1S/C8H8BrNO/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11)
InChI Key:
DDLKZVKEMMUFKO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)N)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.062g/mol
Monoisotopic Mass:
212.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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