(R) -CE3F4

CAT: 0926-TNC47856-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-TNC47856-01Size:10 mg

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CAS Number

1593478-56-8

MDL Number

MFCD31579856

Smiles

CC1CCC2=C (C (=C (C=C2N1C=O) Br) F) Br

Molecular Formula

C11H10Br2FNO

Molecular Weight

351.01 g/mol

Controlled

Chemical Information

(2R)-5,7-Dibromo-6-fluoro-3,4-dihydro-2-methyl-1(2H)-quinolinecarboxaldehyde

CAS Number	1593478-56-8
PubChem CID	73669655
IUPAC Name	(2R)-5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
Molecular Formula	C11H10Br2FNO
Molecular Weight	351.01
XLogP	3.6
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	279

SMILES

C[C@@H]1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br

InChI

InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1

InChIKey

ZZLQPWXVZCPUGC-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 1593478-56-8

CID: 73669655

Formula: C11H10Br2FNO

MW: 351.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.01
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	350.90927
Monoisotopic Mass	348.91132
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes