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10241-98-2 | 1H-Indole-2-carboxylic acid, 5-chloro-2,3-dihydro-
CAS No: 10241-98-2 Catalog No: AG0007E3 MDL No:MFCD13031904
Product Description
Catalog Number:
AG0007E3
Chemical Name:
1H-Indole-2-carboxylic acid, 5-chloro-2,3-dihydro-
CAS Number:
10241-98-2
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
MDL Number:
MFCD13031904
IUPAC Name:
5-chloro-2,3-dihydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H8ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-3,8,11H,4H2,(H,12,13)
InChI Key:
FXZZXHFPSBXQKT-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(N1)ccc(c2)Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.618g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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