Home Other Building Blocks 1-(3,5-difluorophenyl)urea

1-(3,5-difluorophenyl)urea

CAS No.:
874840-52-5
Catalog Number:
AG01DILJ
Molecular Formula:
C7H6F2N2O
Molecular Weight:
172.1321
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Product Description
Catalog Number:
AG01DILJ
Chemical Name:
1-(3,5-difluorophenyl)urea
CAS Number:
874840-52-5
Molecular Formula:
C7H6F2N2O
Molecular Weight:
172.1321
MDL Number:
MFCD07774186
IUPAC Name:
(3,5-difluorophenyl)urea
InChI:
InChI=1S/C7H6F2N2O/c8-4-1-5(9)3-6(2-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key:
QUUOCJXSRNBPLP-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cc(F)cc(c1)F
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.135g/mol
Monoisotopic Mass:
172.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties