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887360-42-1 | 5-Bromo-8H-1,3-dioxa-8-aza-as-indacene-7-carboxylic acid
CAS No: 887360-42-1 Catalog No: AG0045I0 MDL No:
Product Description
Catalog Number:
AG0045I0
Chemical Name:
5-Bromo-8H-1,3-dioxa-8-aza-as-indacene-7-carboxylic acid
CAS Number:
887360-42-1
Molecular Formula:
C10H6BrNO4
Molecular Weight:
284.0629
IUPAC Name:
5-bromo-8H-[1,3]dioxolo[4,5-g]indole-7-carboxylic acid
InChI:
InChI=1S/C10H6BrNO4/c11-5-2-7-9(16-3-15-7)8-4(5)1-6(12-8)10(13)14/h1-2,12H,3H2,(H,13,14)
InChI Key:
VALNZNRTASOLCX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c1OCOc1cc2Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.948g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.065g/mol
Monoisotopic Mass:
282.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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