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6-isothiocyanatobenzo[a]pyrene

6-isothiocyanatobenzo[a]pyrene structure

CAS No:
152832-13-8
Formula:
C21H11NS
Chemical Name:
6-isothiocyanatobenzo[a]pyrene
Synonyms:
152832-13-8;6-Benzo(a)pyrenyl isothiocyanate;UNII-SHJ3H8PGF4;SHJ3H8PGF4;6-BENZO[A]PYRENYL ISOTHIOCYANATE;CCRIS 6854;Benzo[a]pyrene,6-isothiocyanato- (9CI);ACMC-20n6jl;6-Benzo(a)pyrenylisothiocyanate;DTXSID30165136;Benzo[a]pyren-6-yl isothiocyanate

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6-isothiocyanatobenzo[a]pyrene Basic Attributes

Molecular Weight：

309.4 g/mol

Exact Mass：

309.06122053 g/mol

UNII：

SHJ3H8PGF4

DSSTox ID：

DTXSID30165136

Characteristics

PSA：

44.4 Å²

Computed Properties

Molecular Weight:309.4
XLogP3:7.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:309.06122053
Monoisotopic Mass:309.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:23
Complexity:510
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-isothiocyanatobenzo[a]pyrene

Basic Attributes
Characteristics
Computed Properties

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