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Home Aldehydes 1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate

1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate

CAS No.:
958863-77-9
Catalog Number:
AG00IKDA
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$175
- +
1g
97%
In Stock USA
United States
$475
- +
5g
97%
In Stock USA
United States
$1375
- +
10g
97%
In Stock USA
United States
$2063
- +
Product Description
Catalog Number:
AG00IKDA
Chemical Name:
1-Methyl-5-(trifluoromethyl)-1,3-benzodiazole-2-carbaldehyde, hydrate
CAS Number:
958863-77-9
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD19288829
IUPAC Name:
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde
InChI:
InChI=1S/C10H7F3N2O/c1-15-8-3-2-6(10(11,12)13)4-7(8)14-9(15)5-16/h2-5H,1H3
InChI Key:
MSNVBPGZFMHSDG-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1C)ccc(c2)C(F)(F)F
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties