Text Search
Structure Search

3-(4-bromo-2-methylphenyl)-3-oxopropanenitrile

3-(4-bromo-2-methylphenyl)-3-oxopropanenitrile

Formula: C10H8BrNO

SMILES: CC1=C(C=CC(Br)=C1)C(=O)CC#N

IUPAC: 3-(4-bromo-2-methylphenyl)-3-oxopropanenitrile

InChI: InChI=1S/C10H8BrNO/c1-7-6-8(11)2-3-9(7)10(13)4-5-12/h2-3,6H,4H2,1H3

Composition: C (50.45%), H (3.39%), Br (33.56%), N (5.88%), O (6.72%)

Molar Mass: 238.084

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.978927
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OTPYYRJREMNYOA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.45
Topological Polar Surface Area 40.86
Polarizability 20.34
Ring Count 1
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
A1 Bio Chem Labs
Supplier Profile
Purity LeadTime Formula UnitPrice
0% <10 Days C10H8BrNO Quote Only
Request Quote
Struchem co.,ltd
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C10H8BrNO $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
Request Quote