CAS: 17135-78-3
名称: 2-chloroanthracene
SMILES:
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)ClMolecular Processing
Molecular formula
C14H9Cl
Molecular weight
212.68
Exact mass
212.0393
XLogP
4.65
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0
Molar refractivity
66.46
Supplementary Information
InChIKey: OWFINXQLBMJDJQ-UHFFFAOYSA-N
同義語
2-ChloroanthraceneANTHRACENE, 2-CHLORO-CCRIS 5549NSC 408454DTXSID0049230BRN 2047055AI3-23450.beta.-Chloro anthraceneDTXCID2029086OWFINXQLBMJDJQ-UHFFFAOYSA-4-05-00-02292 (Beilstein Handbook Reference)beta-Chloro anthraceneRefChem:86448680-114-0InChI=1/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9HOWFINXQLBMJDJQ-UHFFFAOYSA-N17135-78-3MFCD00003580NSC4084542-Chloroanthracene, 95%SCHEMBL1127451SCHEMBL1359615SCHEMBL1392452CHEMBL3187451SCHEMBL11024835SCHEMBL29825910SCHEMBL30413044Tox21_202960MSK001426AKOS015851144
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