4-Bromodibenzothiophene-d7

CAT: 1596-AR-B06408-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06408-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2778149-80-5

Molecular Formula

C12D7BrS

Molecular Weight

270.19

API Name

Benzene

Chemical Information

4-Bromodibenzothiophene-D7

CAS Number	2778149-80-5
PubChem CID	163398951
IUPAC Name	4-bromo-1,2,3,6,7,8,9-heptadeuteriodibenzothiophene
Molecular Formula	C12H7BrS
Molecular Weight	270.20
XLogP	5.1
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

[2H]C1=C(C(=C2C(=C1[2H])C3=C(S2)C(=C(C(=C3[2H])[2H])[2H])Br)[2H])[2H]

InChI

InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H/i1D,2D,3D,4D,5D,6D,7D

InChIKey

GJXAVNQWIVUQOD-GSNKEKJESA-N

Chemical Structure

2D Structure

CAS: 2778149-80-5

CID: 163398951

Formula: C12H7BrS

MW: 270.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.20
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	268.98912
Monoisotopic Mass	268.98912
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
Isotope Atom Count	7
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P33051-01	Prostacyclin-d7 (Epoprostenol-d7)
AR-C02590-01	4-beta-Hydroxy Cholesterol-d7
AR-P30353-01	Propyl Paraben 4-Glucuronide-d7
AR-P03142-01	Propranolol-d7 (Naphthalenyl-d7)
AR-P03148-01	4-Hydroxy Propranolol-d7 HCl
AR-C07343-01	4-beta-Hydroxy Cholesterol 4-Acetate-d7
AR-P33037-01	Propranolol-d7 (N-Isopropyl-d7)
AR-L06908-01	DL-Leucine-d7 (iso-propyl-d7)
AR-C07316-01	Cholesterol Impurity 16-d7 (Lathosterol-d7)
AR-B01437-01	Bestatin-d7 HCl (Ubenimex-d7 HCl)

Catalog	Name
TRC-B916781-100MG	4-Bromodibenzothiophene-D7
OR916957	4-Bromodibenzothiophene
JH658434	2-BROMODIBENZOTHIOPHENE
OR31666	1-Bromodibenzothiophene
REA66869-01	3-Bromodibenzothiophene 5,5-Dioxide
DCA84685-01	2-Bromodibenzothiophene 5,5-Dioxide
HY-W714025S	4-Hydroxychlorpropham-d7
HY-124265S	4β-Hydroxycholesterol-d7
T206482-01	4-Bromotoluene-d7
433341-01	4-Pentylphenylacetylene-d7