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名称

1-(2,2-二氟-2H-1,3-苯并二恶唑-5-基)环丙烷-1-羧酸

英文别名

Cyclopropanecarboxylicacid,1-(2,2-difluoro-1,3-benzodioxol-5-yl) | 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid | 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-cyclopropanecarboxylic acid | BCP08244 | 2-(N-ETHYLPERFLUOROOCTANESULFAMIDO)ETHYLAC

英文名称

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

货号

D177712-100g

包装规格

100g

浓度

≥97%

储存温度

室温

运输条件

常规运输

CAS号

862574-88-7

分子式

C11H8F2O4

分子量

242.178 g/mol

EC号

PubChem SID: 488200980

PubChem编号

44206103

Isomeric SMILES

C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

IIUPAC Name

1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

INCHI

1S/C11H8F2O4/c12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15/h1-2,5H,3-4H2,(H,14,15)

InChi Key

IELWGOUPQRHXLS-UHFFFAOYSA-N

Smiles

C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

PubChem SID

488200980

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

242.039 Da

单同位素质量Monoisotopic Mass

242.039 Da

拓扑极表面积Topological Polar Surface Area

55.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

353.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.300

Reaxy-Rn

11430158

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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