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名称

5-氯-2-硝基苯甲酸

别名

2-硝基-5-氯苯甲酸

英文别名

NSC59735 | NSC-59735 | SCHEMBL79163 | 5-chloro-2-nitro-benzoicaci;Benzoic acid, 5-chloro-2-nitro- | Z104477156 | MFCD00007290 | STR03120 | 5-chloro-2-nitrobenzic acid | AC-6119 | F2191-0176 | FT-0602345 | NSC 59735 | STK498190 | PS-3236 | 2-nitro-5-chloro

英文名称

5-Chloro-2-nitrobenzoic acid

货号

C117671-1kg

包装规格

1kg

浓度

≥98%

运输条件

常规运输

敏感性

对热敏感

产品介绍

微溶于水

CAS号

2516-95-2

分子式

C7H4ClNO4

分子量

201.56 g/mol

Beilstein号

9401

MDL号

MFCD00007290

PubChem编号

17286

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

IIUPAC Name

5-chloro-2-nitrobenzoic acid

INCHI

1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)

InChi Key

ZKUYSJHXBFFGPU-UHFFFAOYSA-N

Smiles

C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

PubChem SID

488182376

熔点

137-139°C

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

200.983 Da

单同位素质量Monoisotopic Mass

200.983 Da

拓扑极表面积Topological Polar Surface Area

83.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

227.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.100

密度

1.602

闪点(℃)

100 °C

Reaxy-Rn

1963952

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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