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3-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene

3-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene structure

CAS No:
88598-57-6
Formula:
C20H15NO2
Chemical Name:
3-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene
Synonyms:
3-nitro-7,8,9,10-tetrahydrobenzo(a)pyrene;3-nitro-H(4)BAP;7,8,9,10-tetrahydro-3-nitrobenzo(a)pyrene;3-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene;88598-57-6;3-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene;CCRIS 5870;BRN 6226549;7,8,9,10-Tetrahydro-3-nitrobenzo(a)pyrene;UNII-9SX7ZJ6UJ6;9SX7ZJ6UJ6;CHEMBL354368;BENZO(a)PYRENE, 7,8,9,10-TETRAHYDRO-3-NITRO-;DTXSID10237168;ZINC5845512

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3-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene Basic Attributes

Molecular Weight：

301.3 g/mol

Exact Mass：

301.110278721 g/mol

UNII：

9SX7ZJ6UJ6

DSSTox ID：

DTXSID10237168

Characteristics

PSA：

45.8 Å²

Drug Information

MeSH Entry Terms：

3-nitro-7,8,9,10-tetrahydrobenzo(a)pyrene

Computed Properties

Molecular Weight:301.3
XLogP3:6.2
Hydrogen Bond Acceptor Count:2
Exact Mass:301.110278721
Monoisotopic Mass:301.110278721
Topological Polar Surface Area:45.8
Heavy Atom Count:23
Complexity:487
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene

Basic Attributes
Characteristics
Drug Information
Computed Properties

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