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1781693-09-1 | 2-{3-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyridin-7-yl}acetic acid
CAS No: 1781693-09-1 Catalog No: AG01ELFL MDL No:
Product Description
Catalog Number:
AG01ELFL
Chemical Name:
2-{3-bromo-5H,6H,7H,8H-imidazo[1,5-a]pyridin-7-yl}acetic acid
CAS Number:
1781693-09-1
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
IUPAC Name:
2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)acetic acid
InChI:
InChI=1S/C9H11BrN2O2/c10-9-11-5-7-3-6(4-8(13)14)1-2-12(7)9/h5-6H,1-4H2,(H,13,14)
InChI Key:
JTHWHWCHRFODNW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCn2c(C1)cnc2Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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