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2-[(1R,6S)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile

2-[(1R,6S)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile structure

CAS No:
55057-73-3
Formula:
C9H9Br2NO3
Chemical Name:
2-[(1R,6S)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile
Synonyms:
(-)-Aeroplysinin I;(-)-Aeroplysinin 1;AEROPLYSININ-I (RACEMIC);(?)-Aeroplysinin 1;(+-)-Aeroplysinin I;55057-73-3;NSC 286160;30951-40-7;(-)3,5-Dibromo-1(ax),6(ax)dihydroxy-4-methoxycyclohexa-2,4-diene-1-acetonitrile;2,4-Cyclohexadiene-1-acetonitrile, 3,5-dibromo-1,6-dihydroxy-4-methoxy-, trans-(+-)-

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2-[(1R,6S)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile Basic Attributes

Molecular Weight：

338.98 g/mol

Exact Mass：

338.89287 g/mol

Characteristics

PSA：

73.5 Å²

Computed Properties

Molecular Weight:338.98
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:338.89287
Monoisotopic Mass:336.89492
Topological Polar Surface Area:73.5
Heavy Atom Count:15
Complexity:382
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon monoxide formula; ipa structure; tert butyl alcohol; thiamine pyrophosphate; morpholine; ammonia sulfate formula

Guide of 2-[(1R,6S)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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