Carboplatin Impurity 24

CAT: 1299-RM-C021624-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C021624-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1234616-13-7

Synonyms

Methyl 3,3-difluorocyclobutane-1-carboxylate

Molecular Formula

C6H8F2O2

Molecular Weight

150.12

Target Alternative Name

Carboplatin

Product Name Synonym

Methyl 3,3-difluorocyclobutane-1-carboxylate

Chemical Information

Cyclobutanecarboxylic acid, 3,3-difluoro-, methyl ester

CAS Number	1234616-13-7
PubChem CID	56592987
IUPAC Name	methyl 3,3-difluorocyclobutane-1-carboxylate
Molecular Formula	C6H8F2O2
Molecular Weight	150.12
XLogP	1.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	148

SMILES

COC(=O)C1CC(C1)(F)F

InChI

InChI=1S/C6H8F2O2/c1-10-5(9)4-2-6(7,8)3-4/h4H,2-3H2,1H3

InChIKey

KXPLKLQVORGLGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1234616-13-7

CID: 56592987

Formula: C6H8F2O2

MW: 150.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.12
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	150.04923582
Monoisotopic Mass	150.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	148
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes