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871583-15-2 | Methyl 4-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CAS No: 871583-15-2 Catalog No: AG003RUT MDL No:MFCD10697648
Product Description
Catalog Number:
AG003RUT
Chemical Name:
Methyl 4-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
CAS Number:
871583-15-2
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD10697648
IUPAC Name:
methyl 4-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3
InChI Key:
ITZFLYIVVIQWBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ccnc2Br
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:
1
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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