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499983-78-7 | 3-bromo-1-methyl-1H-indole-2-carbaldehyde
CAS No: 499983-78-7 Catalog No: AG01B5DD MDL No:MFCD12402547
Product Description
Catalog Number:
AG01B5DD
Chemical Name:
3-bromo-1-methyl-1H-indole-2-carbaldehyde
CAS Number:
499983-78-7
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD12402547
IUPAC Name:
3-bromo-1-methylindole-2-carbaldehyde
InChI:
InChI=1S/C10H8BrNO/c1-12-8-5-3-2-4-7(8)10(11)9(12)6-13/h2-6H,1H3
InChI Key:
XPLPNQFLFWXQRC-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)c2c(n1C)cccc2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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