Home Halogens {[4-bromo-2-(trifluoromethyl)phenyl]carbamoyl}formic acid

{[4-bromo-2-(trifluoromethyl)phenyl]carbamoyl}formic acid

CAS No.:
1184107-87-6
Catalog Number:
AG01AA8F
Molecular Formula:
C9H5BrF3NO3
Molecular Weight:
312.0401
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Product Description
Catalog Number:
AG01AA8F
Chemical Name:
{[4-bromo-2-(trifluoromethyl)phenyl]carbamoyl}formic acid
CAS Number:
1184107-87-6
Molecular Formula:
C9H5BrF3NO3
Molecular Weight:
312.0401
MDL Number:
MFCD12722604
IUPAC Name:
2-[4-bromo-2-(trifluoromethyl)anilino]-2-oxoacetic acid
InChI:
InChI=1S/C9H5BrF3NO3/c10-4-1-2-6(14-7(15)8(16)17)5(3-4)9(11,12)13/h1-3H,(H,14,15)(H,16,17)
InChI Key:
VDDIGBZRXATBOE-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(F)(F)F)NC(=O)C(=O)O
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.94g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.042g/mol
Monoisotopic Mass:
310.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties