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名称

5-氯-2-甲氧基苯甲酸

别名

5-氯邻茴香酸

英文别名

英文名称

5-Chloro-2-methoxybenzoic acid

货号

C134933-100g

包装规格

100g

浓度

≥98%

运输条件

常规运输

产品介绍

Usually used in the synthesis of 5-chloro-2-methoxybenzoates of La(III), Ga(III) and Lu(III). Complexes of 4-chloro-2-methoxybenzoic acid anion with Mn2+, Co2+, Ni2+, Cu2+ and Zn2+ have been investigated. Usually used in the synthesis of 5-chloro-2-methoxybenzoates of La(III), Ga(III) and Lu(III). Complexes of 4-chloro-2-methoxybenzoic acid anion with Mn2+, Co2+, Ni2+, Cu2+ and Zn2+ have been investigated.

CAS号

3438-16-2

分子式

C8H7ClO3

分子量

186.59 g/mol

Beilstein号

10(4)208

MDL号

MFCD00017546

PubChem编号

76970

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)O

IIUPAC Name

5-chloro-2-methoxybenzoic acid

INCHI

1S/C8H7ClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChi Key

HULDRQRKKXRXBI-UHFFFAOYSA-N

Smiles

COC1=C(C=C(C=C1)Cl)C(=O)O

PubChem SID

488185354

熔点

98-100 °C (lit.)

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

186.008 Da

单同位素质量Monoisotopic Mass

186.008 Da

拓扑极表面积Topological Polar Surface Area

46.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

172.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.200

Reaxy-Rn

1948580

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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