Home Carbonyls methyl N-{5-[(4-fluorophenyl)carbonyl]-1H-1,3-benzodiazol-2-yl}carbamate

methyl N-{5-[(4-fluorophenyl)carbonyl]-1H-1,3-benzodiazol-2-yl}carbamate

CAS No.:
31430-15-6
Catalog Number:
AG003QLJ
Molecular Formula:
C16H12FN3O3
Molecular Weight:
313.2832
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$48
- +
25g
97%
In Stock USA
United States
$172
- +
Product Description
Catalog Number:
AG003QLJ
Chemical Name:
methyl N-{5-[(4-fluorophenyl)carbonyl]-1H-1,3-benzodiazol-2-yl}carbamate
CAS Number:
31430-15-6
Molecular Formula:
C16H12FN3O3
Molecular Weight:
313.2832
MDL Number:
MFCD00871999
IUPAC Name:
methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
InChI Key:
CPEUVMUXAHMANV-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F
EC Number:
250-624-4
UNII:
R8M46911LR
NSC Number:
313680
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.086g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.288g/mol
Monoisotopic Mass:
313.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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Properties