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名称

杂环砌块

英文名称

Methyl 5-Bromo-3-Methylfuran-2-Carboxylate

货号

M698394-100mg

包装规格

100mg

CAS号

2528-01-0

分子式

C7H7BrO3

分子量

219.03 g/mol

PubChem编号

604543

Isomeric SMILES

CC1=C(OC(=C1)Br)C(=O)OC

IIUPAC Name

methyl 5-bromo-3-methylfuran-2-carboxylate

INCHI

1S/C7H7BrO3/c1-4-3-5(8)11-6(4)7(9)10-2/h3H,1-2H3

InChi Key

GOGYIULQMOBHEO-UHFFFAOYSA-N

Smiles

CC1=C(OC(=C1)Br)C(=O)OC

PubChem CID

604543

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

217.958 Da

单同位素质量Monoisotopic Mass

217.958 Da

拓扑极表面积Topological Polar Surface Area

39.400 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

160.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.600

ALogP

2.6

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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