CC(C)C1=CC(=C(C=C1)[N+](=O)[O-])N
CAS: 261712-00-9
名称: 2-nitro-5-propan-2-ylaniline
SMILES: CC(C)C1=CC(=C(C=C1)[N+](=O)[O-])N

Molecular Processing

Molecular formula
C9H12N2O2
Molecular weight
180.21
Exact mass
180.0899
XLogP
2.3
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.6

Supplementary Information

InChIKey: AGZKYRMZCWKFLR-UHFFFAOYSA-N
同義語
5-isopropyl-2-nitroaniline261712-00-9SCHEMBL62962955-Isopropyl-2-nitro-phenylamineAGZKYRMZCWKFLR-UHFFFAOYSA-NDA-37244
出典を見る →
6 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→