Home Halogens Methyl 4-bromo-3-carbamoylbenzoate

Methyl 4-bromo-3-carbamoylbenzoate

CAS No.:
2140305-53-7
Catalog Number:
AG01EHAY
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG01EHAY
Chemical Name:
Methyl 4-bromo-3-carbamoylbenzoate
CAS Number:
2140305-53-7
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD30834356
IUPAC Name:
methyl 4-bromo-3-carbamoylbenzoate
InChI:
InChI=1S/C9H8BrNO3/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4H,1H3,(H2,11,12)
InChI Key:
NRSBCCULYDVTJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)N)Br
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties