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101184-08-1,MFCD00127080
Catalog No.:AA0003TM
101184-08-1 | Methyl 4-(1h-imidazol-1-yl)benzenecarboxylate
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1g
98%
in stock  
$48.00   $33.00
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5g
98%
in stock  
$186.00   $130.00
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25g
98%
in stock  
$762.00   $534.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003TM
Chemical Name:
Methyl 4-(1h-imidazol-1-yl)benzenecarboxylate
CAS Number:
101184-08-1
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00127080
IUPAC Name:
methyl 4-imidazol-1-ylbenzoate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChI Key:
KUBBZTZQWIGHFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)n1ccnc1
Properties
Computed Properties
 
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
Methyl 4-(1H-imidazol-1-yl)benzoate 
101184-08-1 
Benzoic acid, 4-(1H-imidazol-1-yl)-, methyl ester 
methyl 4-imidazol-1-ylbenzoate 
SCHEMBL1022965 
CHEMBL1599092 
methylimidazolylbenzenecarboxylate 
CTK3J9594 
KS-00000GLA 
DTXSID00377582 
KUBBZTZQWIGHFH-UHFFFAOYSA-N 
HMS1364K01 
methyl 4-(1H-imidazol-1-yl)benzenecarboxylate 
HMS2593K21 
HMS3381G18 
ZINC166389 
MFCD00127080 
SBB092926 
1-(4'-methoxycarbonylphenyl)imidazole 
AKOS005069465 
MCULE-4771051112 
RP11813 
RTR-000335 
methyl 4-(imidazol-1-yl)benzoate 
AJ-16498 
AK136125 
CJ-02314 
SMR000332960 
ZB008629 
AB0058458 
AB1004427 
ST2413376 
TR-000335 
4CH-007476 
Benzoic acid,4-(1H-imidazol-1-yl)-, methyl ester 
FT-0679992 
Z3803 
Methyl 4-(1H-imidazol-1-yl)benzoate, 99% 
4-(1H-imidazol-1-yl)benzoic acid methyl ester 
C-4045 
4-(1H -Imidazol-1-yl)benzoic acid methyl ester 
4-(1H-Imidazole-1-yl)benzoic acid methyl ester 
11A-039 
J-522220 
J-640094 
ACMC-20efd7 
J-800097 
I01-12501 
null 
4-(2-Thienyl)butyric acid 
C11H10N2O2 
ZINC00166389 
CID2766374 
AC1MCCM5 
Bionet2_000221 
methyl 4-imidazolylbenzoate 
MLS000694657 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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