(3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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(3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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CAS No:
1212402-98-6
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Formula:
C17H14ClNO3
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Chemical Name:
(3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Synonyms:
(3S)-2-(2-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;ZINC3278123;EN300-87562;1212402-98-6
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CAS No:
(3S)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Basic Attributes
315.7 g/mol
315.0662210 g/mol
Computed Properties
Molecular Weight:315.7
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:315.0662210
Monoisotopic Mass:315.0662210
Topological Polar Surface Area:57.6
Heavy Atom Count:22
Complexity:442
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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