Name: Name:1-Pyrrolidinecarboxylic acid, 3-bromo-4-fluoro-, 1,1-dimethylethyl ester, (3R,4R)-rel-
Brand: Angene
SKU: AG00236Z
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3-bromo-4-fluoro-, 1,1-dimethylethyl ester, (3R,4R)-rel-

CAS No.:

1818847-67-4

Catalog Number:

AG00236Z

Molecular Formula:

C9H15BrFNO2

Molecular Weight:

268.1233

Catalog Number:

AG00236Z

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3-bromo-4-fluoro-, 1,1-dimethylethyl ester, (3R,4R)-rel-

CAS Number:

1818847-67-4

Molecular Formula:

C9H15BrFNO2

Molecular Weight:

268.1233

IUPAC Name:

tert-butyl (3R,4R)-3-bromo-4-fluoropyrrolidine-1-carboxylate

InChI:

InChI=1S/C9H15BrFNO2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1

InChI Key:

GFICPINAPXXEHE-RNFRBKRXSA-N

SMILES:

Br[C@@H]1CN(C[C@H]1F)C(=O)OC(C)(C)C

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.126g/mol

Monoisotopic Mass:

267.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1