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2-Bromo-1-(4-isothiocyanatophenyl)ethanone

2-Bromo-1-(4-isothiocyanatophenyl)ethanone structure

CAS No:
1017791-57-9
Formula:
C9H6BrNOS
Chemical Name:
2-Bromo-1-(4-isothiocyanatophenyl)ethanone
Synonyms:
2-BROMO-1-(4-ISOTHIOCYANATOPHENYL)ETHANONE;SCHEMBL10576000;CTK8A7572;ZINC19737455;AKOS015836069

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2-Bromo-1-(4-isothiocyanatophenyl)ethanone Basic Attributes

Molecular Weight：

256.11904

Exact Mass：

254.935

Characteristics

PSA：

61.5

XLogP3：

3.8

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:256.12
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:254.93535
Monoisotopic Mass:254.93535
Topological Polar Surface Area:61.5
Heavy Atom Count:13
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Bromo-1-(4-isothiocyanatophenyl)ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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