Carmofur

CAT: 0127-BUP16271-03Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16271-03Size:200 mg

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CAS Number

61422-45-5

Synonyms

HCFU

Purity

=98%

Smiles

CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O

Chemical Information

Carmofur

Carmofur is an organohalogen compound and a member of pyrimidines.

CAS Number	61422-45-5
PubChem CID	2577
IUPAC Name	5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
Molecular Formula	C11H16FN3O3
Molecular Weight	257.26
XLogP	2.6
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	382

SMILES

CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F

InChI

InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)

InChIKey

AOCCBINRVIKJHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61422-45-5

CID: 2577

Formula: C11H16FN3O3

MW: 257.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.26
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	257.11756954
Monoisotopic Mass	257.11756954
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	382
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