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1022091-89-9,MFCD26398873
Catalog No.:AA0006UD
1022091-89-9 | Methyl 2-(3-bromoquinolin-6-yl)acetate
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100mg
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Technical Information
Catalog Number:
AA0006UD
Chemical Name:
Methyl 2-(3-bromoquinolin-6-yl)acetate
CAS Number:
1022091-89-9
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD26398873
IUPAC Name:
methyl 2-(3-bromoquinolin-6-yl)acetate
InChI:
InChI=1S/C12H10BrNO2/c1-16-12(15)5-8-2-3-11-9(4-8)6-10(13)7-14-11/h2-4,6-7H,5H2,1H3
InChI Key:
YOLWDFNEQGOTLV-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc2c(c1)cc(cn2)Br
Properties
Computed Properties
 
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.989g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.121g/mol
Monoisotopic Mass:
278.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
methyl 2-(3-bromoquinolin-6-yl)acetate 
1022091-89-9 
AK162765 
6-Quinolineaceticacid,3-bromo-,methylester 
AX8294784 
CS-0061880 
Ethyl 2-(3-bromoquinolin-6-yl)acetate 
1393353-34-8 
6-Quinolineacetic acid, 3-bromo-, methyl ester 
(3-bromo-quinolin-6-yl)-acetic acid methyl ester 
SCHEMBL3153818 
YOLWDFNEQGOTLV-UHFFFAOYSA-N 
MFCD26398873 
ZINC98213246 
AKOS024463617 
ACN-037388 
Literature
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