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1019056-31-5,MFCD09999221
Catalog No.:AA0005TE
1019056-31-5 | 4-Chloro-5h-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0005TE
Chemical Name:
4-Chloro-5h-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CAS Number:
1019056-31-5
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD09999221
IUPAC Name:
4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-6-5-4(10-2-11-6)3(1-9-5)7(12)13/h1-2,9H,(H,12,13)
InChI Key:
SYUREEKHRDWOJX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1ncnc2Cl
Properties
Computed Properties
 
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
4-CHLORO-5H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBOXYLIC ACID 
853058-43-2 
MFCD09999221 
ZINC35269949 
AKOS006305680 
PB31467 
RP25557 
SB10438 
AJ-90966 
AN-27088 
AS-38620 
SC-42585 
1019056-31-5 
AB0077941 
DB-058728 
ST1271482 
TR-026687 
CS-0050913 
FT-0648732 
FT-0743074 
C-8357 
058C432 
A841288 
PubChem15178 
J-515054 
Z1982491247 
4-chloranyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid 
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro- 
C7H4ClN3O2 
4-CHLORO-5H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBOXYLIC 
SCHEMBL2080225 
CTK3E7437 
SYUREEKHRDWOJX-UHFFFAOYSA-N 
KS-000003JL 
3230AC 
ANW-53136 
Literature
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