Home Other Building Blocks {[(4-fluorophenyl)methyl]carbamoyl}formic acid

{[(4-fluorophenyl)methyl]carbamoyl}formic acid

CAS No.:
864244-64-4
Catalog Number:
AG01AKT4
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
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Product Description
Catalog Number:
AG01AKT4
Chemical Name:
{[(4-fluorophenyl)methyl]carbamoyl}formic acid
CAS Number:
864244-64-4
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
MDL Number:
MFCD10018395
IUPAC Name:
2-[(4-fluorophenyl)methylamino]-2-oxoacetic acid
InChI:
InChI=1S/C9H8FNO3/c10-7-3-1-6(2-4-7)5-11-8(12)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
InChI Key:
DXXSNUKDTVZDGU-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)NCc1ccc(cc1)F
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.165g/mol
Monoisotopic Mass:
197.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties