2-Bromoanisole

CAT: 0127-OR28661-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR28661-01Size:25 g

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

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CAS Number

578-57-4

Synonyms

1-Bromo-2-methoxybenzene, 2-Bromophenyl methyl ether

MDL Number

MFCD00000064

Purity

98%

Smiles

COc1ccccc1Br

Chemical Information

2-Bromoanisole

CAS Number	578-57-4
PubChem CID	11358
IUPAC Name	1-bromo-2-methoxybenzene
Molecular Formula	C7H7BrO
Molecular Weight	187.03
XLogP	2.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

COC1=CC=CC=C1Br

InChI

InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

InChIKey

HTDQSWDEWGSAMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 578-57-4

CID: 11358

Formula: C7H7BrO

MW: 187.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.03
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	185.96803
Monoisotopic Mass	185.96803
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
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
OR400659-01	2- (Benzyloxy) -4-bromoanisole
OR2108-01	3-Bromoanisole
OR4283-01	4-Bromoanisole
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene

Catalog	Name
sc-237934	2-Bromoanisole
429353-01	4- (Benzyloxy) -2-bromoanisole
sc-206634A	3-Bromoanisole
435057-01	5-Benzyloxy-2-bromoanisole
414035-01	2- (Benzyloxy) -4-bromoanisole
sc-259462	2-Amino-3-bromoanisole
MBS6038796-01	2-(1-Adamantyl)-4-bromoanisole
sc-321124	2- (t-Butyldimethylsilyloxy) -4-bromoanisole
90027337-100g	4-Bromoanisole
AR-M03476	O-Bromoanisole