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Home > Indoles and Oxindole > 938465-52-2
938465-52-2 | 1-CHLORO-5H-PYRIDO[4,3-B]INDOLE-4-CARBOXAMIDE
CAS No: 938465-52-2 Catalog No: AG00IHVG MDL No:MFCD18803692
Product Description
Catalog Number:
AG00IHVG
Chemical Name:
1-CHLORO-5H-PYRIDO[4,3-B]INDOLE-4-CARBOXAMIDE
CAS Number:
938465-52-2
Molecular Formula:
C12H8ClN3O
Molecular Weight:
245.6644
MDL Number:
MFCD18803692
IUPAC Name:
1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
InChI:
InChI=1S/C12H8ClN3O/c13-11-9-6-3-1-2-4-8(6)16-10(9)7(5-15-11)12(14)17/h1-5,16H,(H2,14,17)
InChI Key:
VQNXPJGYVJPVIX-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnc(c2c1[nH]c1c2cccc1)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.666g/mol
Monoisotopic Mass:
245.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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