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Home > Aldehydes > 666840-43-3
666840-43-3 | Pyrrolo[3,2-b]indole-2-carboxaldehyde, 3-bromo-1,4-dihydro-4-methyl-
CAS No: 666840-43-3 Catalog No: AG006IYA MDL No:
Product Description
Catalog Number:
AG006IYA
Chemical Name:
Pyrrolo[3,2-b]indole-2-carboxaldehyde, 3-bromo-1,4-dihydro-4-methyl-
CAS Number:
666840-43-3
Molecular Formula:
C12H9BrN2O
Molecular Weight:
277.1167
IUPAC Name:
3-bromo-4-methyl-1H-pyrrolo[3,2-b]indole-2-carbaldehyde
InChI:
InChI=1S/C12H9BrN2O/c1-15-9-5-3-2-4-7(9)11-12(15)10(13)8(6-16)14-11/h2-6,14H,1H3
InChI Key:
SBDDILVUOHHHPM-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(c1Br)n(c1c2cccc1)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.121g/mol
Monoisotopic Mass:
275.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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