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6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

HCID 46863984
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
858955-38-1
Standard SMILES
Nc1nc(-c2ccc(Cl)cc2)nc(C(=O)O)c1Cl
InChIKey
IFNGRCNEIXJJOA-UHFFFAOYSA-N
Molecular formula
C11H7Cl2N3O2
Average molar mass
284.09 g/mol
Monoisotopic mass
282.99153182

Names & identifiers

Preferred name
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
IUPAC
6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
English name
6-Amino-5-chloro-2-(4-chloro-phenyl)-pyrimidine-4-carboxylic acid
Molecular formula
C11H7Cl2N3O2
Molecular weight
284.1

Names & synonyms

858955-38-16-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acidSCHEMBL1535638DTXSID80676909IFNGRCNEIXJJOA-UHFFFAOYSA-N6-amino-5-chloro-2-(4-chlorophenyl)-4-pyrimidinecarboxylic acid6-AMINO-5-CHLORO-2-(4-CHLORO-PHENYL)-PYRIMIDINE-4-CARBOXYLIC ACIDAKOS015917709SB58977DA-19223E704626-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylicacid
Show more names
4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-(4-chlorophenyl)-6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid ,95%

Database identifiers

CAS
858955-38-1
PubChem CID
46863984
DTXSID
DTXSID80676909

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
89.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
311

Physicochemical properties

storage temp.
2 · 2-8°C

Chemistry & industry

Suppliers7 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]

Related reactions

7 records
New reaction record
HRID 249663 reaction equation
HRID 249663As productuspto-grants-2011_01
HRID 249664 reaction equation
HRID 249664As reactantuspto-grants-2011_01
HRID 801917 reaction equation
HRID 801917As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2282943 reaction equation
HRID 2282943As productuspto-grants-2015_09
HRID 2282944 reaction equation
HRID 2282944As reactantuspto-grants-2015_09
HRID 2403103 reaction equation
HRID 2403103As productuspto-grants-2014_08
HRID 2403104 reaction equation
HRID 2403104As reactantuspto-grants-2014_08

Compound notes

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