CS-0116667

Ethyl 4-chloroisoxazolo[5,4-d]pyrimidine-3-carboxylate

Manufacturer: ChemScene

CAS Number: 1127366-79-3

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₈H₆ClN₃O₃

Molecular Weight

227.60

Synonyms

Isoxazolo[5,4-d]pyrimidine-3-carboxylic acid, 4-chloro-, ethyl ester

SMILES

O=C(C1=NOC2=NC=NC(Cl)=C21)OCC

Tpsa

78.11

Logp

1.4479

H Acceptors

6

H Donors

0

Rotatable Bonds

2

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SAFETY INFORMATION

Pictograms

GHS06

Signal Word

Danger

UN Number

2811

Class

6.1

Packing Group

Hazard Statements

H301-H311-H331

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Img

ChemScene

CS-0116667

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₈H₆ClN₃O₃

Molecular Weight:
227.60

Synonyms:
Isoxazolo[5,4-d]pyrimidine-3-carboxylic acid, 4-chloro-, ethyl ester

SMILES:
O=C(C1=NOC2=NC=NC(Cl)=C21)OCC

Tpsa:
78.11

Logp:
1.4479

H Acceptors:
6

H Donors:
0

Rotatable Bonds:
2

Img

ChemScene

CS-0116668

--


Purity:
95+%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₇H₅N₃O₂

Molecular Weight:
163.13

Synonyms:
None

SMILES:
O=C(C1=CC2=C(NC=N2)C=N1)O

Tpsa:
78.87

Logp:
0.6561

H Acceptors:
3

H Donors:
2

Rotatable Bonds:
1

Img

ChemScene

CS-0116669

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₆H₂BrCl₂NO₂

Molecular Weight:
270.90

Synonyms:
sc-b01-0118 4-bromo-2,5-dichloronitrobenzene

SMILES:
O=[N+](C1=C(Cl)C=C(Br)C(Cl)=C1)[O-]

Tpsa:
43.14

Logp:
3.6641

H Acceptors:
2

H Donors:
0

Rotatable Bonds:
1

Img

ChemScene

CS-0116670

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₃H₇N₅O₃

Molecular Weight:
161.12

Synonyms:
N,N''-dihydroxy-2-hydroxyimino-malonamidine

SMILES:
O/N=C(N)/C(/C(N)=N/O)=N\O

Tpsa:
149.81

Logp:
-1.6906

H Acceptors:
6

H Donors:
5

Rotatable Bonds:
2