Sitafloxacin Impurity 25

CAT: 1299-RM-S111651-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S111651-01Size:10 mg

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CAS Number

127199-16-0

Synonyms

Tert-butyl ((1R,2S) -2-fluorocyclopropyl) carbamate

Molecular Formula

C8H14FNO2

Molecular Weight

175.2

Target Alternative Name

Sitafloxacin

Product Name Synonym

Tert-butyl ((1R,2S) -2-fluorocyclopropyl) carbamate

Chemical Information

tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate

CAS Number	127199-16-0
PubChem CID	10442211
IUPAC Name	tert-butyl N-[(1R,2S)-2-fluorocyclopropyl]carbamate
Molecular Formula	C8H14FNO2
Molecular Weight	175.20
XLogP	1.5
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1F

InChI

InChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6+/m0/s1

InChIKey

VWSDKMQGCVVQBV-NTSWFWBYSA-N

Chemical Structure

2D Structure

CAS: 127199-16-0

CID: 10442211

Formula: C8H14FNO2

MW: 175.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.20
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	175.10085685
Monoisotopic Mass	175.10085685
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes