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2-Vinyl-4-quinazolinol

CAT: 0926-RDA63412-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-RDA63412-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91634-12-7
MDL Number
MFCD04037877
Smiles
C=CC1=NC2=CC=CC=C2C (=O) N1
Molecular Formula
C10H8N2O
Molecular Weight
172.19 g/mol
Controlled
No

Chemical Information

2-Ethenyl-3,4-dihydroquinazolin-4-one
CAS Number91634-12-7
PubChem CID135483386
IUPAC Name2-ethenyl-3H-quinazolin-4-one
Molecular FormulaC10H8N2O
Molecular Weight172.18
XLogP1.3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity270
SMILES
C=CC1=NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H8N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H,1H2,(H,11,12,13)
InChIKey
VCHFWHQHIKFOIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethenyl-3,4-dihydroquinazolin-4-one
CAS: 91634-12-7
CID: 135483386
Formula: C10H8N2O
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass172.063662883
Monoisotopic Mass172.063662883
Topological Polar Surface Area41.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-3087092-Vinyl-4-quinazolinol
sc-3112336-Bromo-2-vinyl-4-quinazolinol
JH9175678-Quinazolinol, 2,4-dichloro-
JH9175657-Quinazolinol, 2,4-dichloro-
abx183797-016-Iodo-4-quinazolinol
TRC-C409060-500MG2-Chloro-8-quinazolinol
TRC-T164745-500MG7-[3-(Trifluoromethyl)-2-pyridinyl]-4-quinazolinol
JH9169082,4-Dichloro-6-methoxy-7-quinazolinol
JH9169102,4-Dichloro-7-methoxy-6-quinazolinol
1611344-[ (4-Bromo-2-fluorophenyl) amino]-6-methoxy-7-Quinazolinol

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