Home Other Building Blocks 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoic acid

3-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoic acid

CAS No.:
176389-60-9
Catalog Number:
AG01DD0L
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
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Product Description
Catalog Number:
AG01DD0L
Chemical Name:
3-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoic acid
CAS Number:
176389-60-9
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD27946223
IUPAC Name:
3-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-2-5(4-6)7(15)16/h1-4H,(H,15,16)
InChI Key:
CELVQYDOLLNPMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1(N=N1)C(F)(F)F
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties