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R1530

CAS No.:
882531-87-5
Catalog Number:
AG00GU5X
Molecular Formula:
C18H14ClFN4O
Molecular Weight:
356.7814
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$169
- +
10mg
99%
1 week
United States
$230
- +
25mg
≥98%
1 week
United States
$535
- +
50mg
99%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG00GU5X
Chemical Name:
R1530
CAS Number:
882531-87-5
Molecular Formula:
C18H14ClFN4O
Molecular Weight:
356.7814
MDL Number:
MFCD23704870
IUPAC Name:
5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
InChI:
InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
InChI Key:
UOVCGJXDGOGOCZ-UHFFFAOYSA-N
SMILES:
COc1cc2nc3[nH][nH]c(c3nc(c2cc1F)c1ccccc1Cl)C
UNII:
XQJ55R5PPQ
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.084g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.785g/mol
Monoisotopic Mass:
356.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties