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Home > Bromides > 1780041-73-7
1780041-73-7 | 2-(5-bromo-1H-1,3-benzodiazol-6-yl)acetic acid
CAS No: 1780041-73-7 Catalog No: AG01ELAQ MDL No:MFCD28948167
Product Description
Catalog Number:
AG01ELAQ
Chemical Name:
2-(5-bromo-1H-1,3-benzodiazol-6-yl)acetic acid
CAS Number:
1780041-73-7
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD28948167
IUPAC Name:
2-(6-bromo-3H-benzimidazol-5-yl)acetic acid
InChI:
InChI=1S/C9H7BrN2O2/c10-6-3-8-7(11-4-12-8)1-5(6)2-9(13)14/h1,3-4H,2H2,(H,11,12)(H,13,14)
InChI Key:
JAKPKPPYPWGCEF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc2[nH]cnc2cc1Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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