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912763-77-0 | 1-(2,6-DICHLORO-BENZOYLAMINO)-CYCLOHEPTANECARBOXYLIC ACID
CAS No: 912763-77-0 Catalog No: AG00GVB2 MDL No:MFCD08692559
Product Description
Catalog Number:
AG00GVB2
Chemical Name:
1-(2,6-DICHLORO-BENZOYLAMINO)-CYCLOHEPTANECARBOXYLIC ACID
CAS Number:
912763-77-0
Molecular Formula:
C15H17Cl2NO3
Molecular Weight:
330.2064
MDL Number:
MFCD08692559
IUPAC Name:
1-[(2,6-dichlorobenzoyl)amino]cycloheptane-1-carboxylic acid
InChI:
InChI=1S/C15H17Cl2NO3/c16-10-6-5-7-11(17)12(10)13(19)18-15(14(20)21)8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H,18,19)(H,20,21)
InChI Key:
LPYNZXRPDCUDHN-UHFFFAOYSA-N
SMILES:
O=C(c1c(Cl)cccc1Cl)NC1(CCCCCC1)C(=O)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.205g/mol
Monoisotopic Mass:
329.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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