Home Halogens 4-bromo-1-{[(tert-butoxy)carbonyl]amino}-5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

4-bromo-1-{[(tert-butoxy)carbonyl]amino}-5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

CAS No.:
2138556-49-5
Catalog Number:
AG01ELDI
Molecular Formula:
C15H17BrFNO4
Molecular Weight:
374.2022
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Product Description
Catalog Number:
AG01ELDI
Chemical Name:
4-bromo-1-{[(tert-butoxy)carbonyl]amino}-5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
2138556-49-5
Molecular Formula:
C15H17BrFNO4
Molecular Weight:
374.2022
MDL Number:
MFCD31617200
IUPAC Name:
4-bromo-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C15H17BrFNO4/c1-14(2,3)22-13(21)18-15(12(19)20)7-6-8-9(15)4-5-10(17)11(8)16/h4-5H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChI Key:
TZZWDRFBNBPFBW-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCc2c1ccc(c2Br)F)NC(=O)OC(C)(C)C
Properties
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.032g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.206g/mol
Monoisotopic Mass:
373.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties