Home Carboxys 1-(Difluoromethyl)-5-methyl-1H-pyrrole-2-carboxylic acid

1-(Difluoromethyl)-5-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:
1559064-14-0
Catalog Number:
AG00J2Q7
Molecular Formula:
C7H7F2NO2
Molecular Weight:
175.1328
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00J2Q7
Chemical Name:
1-(Difluoromethyl)-5-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
1559064-14-0
Molecular Formula:
C7H7F2NO2
Molecular Weight:
175.1328
MDL Number:
MFCD26940358
IUPAC Name:
1-(difluoromethyl)-5-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H7F2NO2/c1-4-2-3-5(6(11)12)10(4)7(8)9/h2-3,7H,1H3,(H,11,12)
InChI Key:
QZXIKIOBIKQPGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(n1C(F)F)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.135g/mol
Monoisotopic Mass:
175.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties