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1256834-88-4 | 2-Chloro-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
CAS No: 1256834-88-4 Catalog No: AG000OGE MDL No:MFCD18261181
Product Description
Catalog Number:
AG000OGE
Chemical Name:
2-Chloro-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
CAS Number:
1256834-88-4
Molecular Formula:
C10H10ClNO2
Molecular Weight:
211.6449
MDL Number:
MFCD18261181
IUPAC Name:
2-chloro-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
InChI:
InChI=1S/C10H10ClNO2/c11-9-4-2-6-5-7(10(13)14)1-3-8(6)12-9/h2,4,7H,1,3,5H2,(H,13,14)
InChI Key:
KRKHVCGNVDEZLD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)ccc(n2)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.645g/mol
Monoisotopic Mass:
211.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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